tert-butyl N-[(2S,3S)-1-[2,6-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]-3-hydroxyhex-5-en-2-yl]carbamate;tert-butyl N-[(2S,3R)-1-[2,6-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]-3-hydroxyhex-5-en-2-yl]carbamate;(4S,5S)-4-[[2,6-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-4,5-dimethyl-5-prop-2-enyl-1,3-oxazolidin-2-one;(4S,5R)-4-[[2,6-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-4,5-dimethyl-5-prop-2-enyl-1,3-oxazolidin-2-one;methane;oxolane

C98H160N4O16 — CID 157198291

About tert-butyl N-[(2S,3S)-1-[2,6-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]-3-hydroxyhex-5-en-2-yl]carbamate;tert-butyl N-[(2S,3R)-1-[2,6-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]-3-hydroxyhex-5-en-2-yl]carbamate;(4S,5S)-4-[[2,6-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-4,5-dimethyl-5-prop-2-enyl-1,3-oxazolidin-2-one;(4S,5R)-4-[[2,6-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-4,5-dimethyl-5-prop-2-enyl-1,3-oxazolidin-2-one;methane;oxolane

tert-butyl N-[(2S,3S)-1-[2,6-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]-3-hydroxyhex-5-en-2-yl]carbamate;tert-butyl N-[(2S,3R)-1-[2,6-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]-3-hydroxyhex-5-en-2-yl]carbamate;(4S,5S)-4-[[2,6-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-4,5-dimethyl-5-prop-2-enyl-1,3-oxazolidin-2-one;(4S,5R)-4-[[2,6-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-4,5-dimethyl-5-prop-2-enyl-1,3-oxazolidin-2-one;methane;oxolane (PubChem CID 157198291) has the molecular formula C98H160N4O16 and a molecular weight of 1650.37 g/mol. Its IUPAC name is tert-butyl N-[(2S,3S)-1-[2,6-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]-3-hydroxyhex-5-en-2-yl]carbamate;tert-butyl N-[(2S,3R)-1-[2,6-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]-3-hydroxyhex-5-en-2-yl]carbamate;(4S,5S)-4-[[2,6-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-4,5-dimethyl-5-prop-2-enyl-1,3-oxazolidin-2-one;(4S,5R)-4-[[2,6-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-4,5-dimethyl-5-prop-2-enyl-1,3-oxazolidin-2-one;methane;oxolane.

Molecular Properties

• Compound Name: tert-butyl N-[(2S,3S)-1-[2,6-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]-3-hydroxyhex-5-en-2-yl]carbamate;tert-butyl N-[(2S,3R)-1-[2,6-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]-3-hydroxyhex-5-en-2-yl]carbamate;(4S,5S)-4-[[2,6-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-4,5-dimethyl-5-prop-2-enyl-1,3-oxazolidin-2-one;(4S,5R)-4-[[2,6-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-4,5-dimethyl-5-prop-2-enyl-1,3-oxazolidin-2-one;methane;oxolane
• PubChem CID: 157198291
• Molecular Formula: C98H160N4O16
• Molecular Weight: 1650.37 g/mol
• Exact Mass: 1649.18
• IUPAC Name: tert-butyl N-[(2S,3S)-1-[2,6-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]-3-hydroxyhex-5-en-2-yl]carbamate;tert-butyl N-[(2S,3R)-1-[2,6-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]-3-hydroxyhex-5-en-2-yl]carbamate;(4S,5S)-4-[[2,6-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-4,5-dimethyl-5-prop-2-enyl-1,3-oxazolidin-2-one;(4S,5R)-4-[[2,6-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-4,5-dimethyl-5-prop-2-enyl-1,3-oxazolidin-2-one;methane;oxolane
• SMILES: C.C.C1CCOC1.C1CCOC1.C=CC[C@@H](O)[C@H](Cc1c(C)cc(OC(C)(C)C)cc1C)NC(=O)OC(C)(C)C.C=CC[C@@]1(C)OC(=O)N[C@@]1(C)Cc1c(C)cc(OC(C)(C)C)cc1C.C=CC[C@H](O)[C@H](Cc1c(C)cc(OC(C)(C)C)cc1C)NC(=O)OC(C)(C)C.C=CC[C@]1(C)OC(=O)N[C@@]1(C)Cc1c(C)cc(OC(C)(C)C)cc1C
• InChI: InChI=1S/2C23H37NO4.2C21H31NO3.2C4H8O.2CH4/c2*1-10-11-20(25)19(24-21(26)28-23(7,8)9)14-18-15(2)12-17(13-16(18)3)27-22(4,5)6;2*1-9-10-21(8)20(7,22-18(23)25-21)13-17-14(2)11-16(12-15(17)3)24-19(4,5)6;2*1-2-4-5-3-1;;/h2*10,12-13,19-20,25H,1,11,14H2,2-9H3,(H,24,26);2*9,11-12H,1,10,13H2,2-8H3,(H,22,23);2*1-4H2;2*1H4/t19-,20+;19-,20-;20-,21+;20-,21-;;;;/m0000..../s1
• InChIKey: AQMRSDOIZAOBDS-KZGAALIXSA-N
• XLogP: 22.29
• TPSA: 249.16 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 16
• Rotatable Bonds: 24
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1650.37
LogP ≤ 5	22.29
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S,3S)-1-[2,6-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]-3-hydroxyhex-5-en-2-yl]carbamate;tert-butyl N-[(2S,3R)-1-[2,6-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]-3-hydroxyhex-5-en-2-yl]carbamate;(4S,5S)-4-[[2,6-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-4,5-dimethyl-5-prop-2-enyl-1,3-oxazolidin-2-one;(4S,5R)-4-[[2,6-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-4,5-dimethyl-5-prop-2-enyl-1,3-oxazolidin-2-one;methane;oxolane?

The IUPAC name of tert-butyl N-[(2S,3S)-1-[2,6-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]-3-hydroxyhex-5-en-2-yl]carbamate;tert-butyl N-[(2S,3R)-1-[2,6-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]-3-hydroxyhex-5-en-2-yl]carbamate;(4S,5S)-4-[[2,6-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-4,5-dimethyl-5-prop-2-enyl-1,3-oxazolidin-2-one;(4S,5R)-4-[[2,6-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-4,5-dimethyl-5-prop-2-enyl-1,3-oxazolidin-2-one;methane;oxolane (CID 157198291) is tert-butyl N-[(2S,3S)-1-[2,6-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]-3-hydroxyhex-5-en-2-yl]carbamate;tert-butyl N-[(2S,3R)-1-[2,6-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]-3-hydroxyhex-5-en-2-yl]carbamate;(4S,5S)-4-[[2,6-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-4,5-dimethyl-5-prop-2-enyl-1,3-oxazolidin-2-one;(4S,5R)-4-[[2,6-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-4,5-dimethyl-5-prop-2-enyl-1,3-oxazolidin-2-one;methane;oxolane.

What is the SMILES notation for tert-butyl N-[(2S,3S)-1-[2,6-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]-3-hydroxyhex-5-en-2-yl]carbamate;tert-butyl N-[(2S,3R)-1-[2,6-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]-3-hydroxyhex-5-en-2-yl]carbamate;(4S,5S)-4-[[2,6-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-4,5-dimethyl-5-prop-2-enyl-1,3-oxazolidin-2-one;(4S,5R)-4-[[2,6-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-4,5-dimethyl-5-prop-2-enyl-1,3-oxazolidin-2-one;methane;oxolane?

The canonical SMILES for tert-butyl N-[(2S,3S)-1-[2,6-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]-3-hydroxyhex-5-en-2-yl]carbamate;tert-butyl N-[(2S,3R)-1-[2,6-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]-3-hydroxyhex-5-en-2-yl]carbamate;(4S,5S)-4-[[2,6-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-4,5-dimethyl-5-prop-2-enyl-1,3-oxazolidin-2-one;(4S,5R)-4-[[2,6-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-4,5-dimethyl-5-prop-2-enyl-1,3-oxazolidin-2-one;methane;oxolane is C.C.C1CCOC1.C1CCOC1.C=CC[C@@H](O)[C@H](Cc1c(C)cc(OC(C)(C)C)cc1C)NC(=O)OC(C)(C)C.C=CC[C@@]1(C)OC(=O)N[C@@]1(C)Cc1c(C)cc(OC(C)(C)C)cc1C.C=CC[C@H](O)[C@H](Cc1c(C)cc(OC(C)(C)C)cc1C)NC(=O)OC(C)(C)C.C=CC[C@]1(C)OC(=O)N[C@@]1(C)Cc1c(C)cc(OC(C)(C)C)cc1C.

What is the InChIKey of tert-butyl N-[(2S,3S)-1-[2,6-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]-3-hydroxyhex-5-en-2-yl]carbamate;tert-butyl N-[(2S,3R)-1-[2,6-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]-3-hydroxyhex-5-en-2-yl]carbamate;(4S,5S)-4-[[2,6-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-4,5-dimethyl-5-prop-2-enyl-1,3-oxazolidin-2-one;(4S,5R)-4-[[2,6-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-4,5-dimethyl-5-prop-2-enyl-1,3-oxazolidin-2-one;methane;oxolane?

The InChIKey is AQMRSDOIZAOBDS-KZGAALIXSA-N. The full InChI is InChI=1S/2C23H37NO4.2C21H31NO3.2C4H8O.2CH4/c2*1-10-11-20(25)19(24-21(26)28-23(7,8)9)14-18-15(2)12-17(13-16(18)3)27-22(4,5)6;2*1-9-10-21(8)20(7,22-18(23)25-21)13-17-14(2)11-16(12-15(17)3)24-19(4,5)6;2*1-2-4-5-3-1;;/h2*10,12-13,19-20,25H,1,11,14H2,2-9H3,(H,24,26);2*9,11-12H,1,10,13H2,2-8H3,(H,22,23);2*1-4H2;2*1H4/t19-,20+;19-,20-;20-,21+;20-,21-;;;;/m0000..../s1.

What are the key properties of tert-butyl N-[(2S,3S)-1-[2,6-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]-3-hydroxyhex-5-en-2-yl]carbamate;tert-butyl N-[(2S,3R)-1-[2,6-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]-3-hydroxyhex-5-en-2-yl]carbamate;(4S,5S)-4-[[2,6-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-4,5-dimethyl-5-prop-2-enyl-1,3-oxazolidin-2-one;(4S,5R)-4-[[2,6-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-4,5-dimethyl-5-prop-2-enyl-1,3-oxazolidin-2-one;methane;oxolane?

tert-butyl N-[(2S,3S)-1-[2,6-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]-3-hydroxyhex-5-en-2-yl]carbamate;tert-butyl N-[(2S,3R)-1-[2,6-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]-3-hydroxyhex-5-en-2-yl]carbamate;(4S,5S)-4-[[2,6-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-4,5-dimethyl-5-prop-2-enyl-1,3-oxazolidin-2-one;(4S,5R)-4-[[2,6-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-4,5-dimethyl-5-prop-2-enyl-1,3-oxazolidin-2-one;methane;oxolane has a molecular weight of 1650.37 g/mol, XLogP of 22.29, 24 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(2S,3S)-1-[2,6-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]-3-hydroxyhex-5-en-2-yl]carbamate;tert-butyl N-[(2S,3R)-1-[2,6-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]-3-hydroxyhex-5-en-2-yl]carbamate;(4S,5S)-4-[[2,6-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-4,5-dimethyl-5-prop-2-enyl-1,3-oxazolidin-2-one;(4S,5R)-4-[[2,6-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-4,5-dimethyl-5-prop-2-enyl-1,3-oxazolidin-2-one;methane;oxolane is sourced from PubChem (CID 157198291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).