[(2R)-2-[(1S,3R)-3-[(R)-methoxy-[(5S)-2-(methoxymethoxymethyl)-5-propan-2-ylcyclopenten-1-yl]methyl]-3-methyl-2-methylidenecyclopentyl]propoxy]methylbenzene

C30H46O4 — CID 10895995

IUPAC[(2R)-2-[(1S,3R)-3-[(R)-methoxy-[(5S)-2-(methoxymethoxymethyl)-5-propan-2-ylcyclopenten-1-yl]methyl]-3-methyl-2-methylidenecyclopentyl]propoxy]methylbenzene
SMILESC=C1[C@H]([C@@H](C)COCc2ccccc2)CC[C@@]1(C)[C@@H](OC)C1=C(COCOC)CC[C@H]1C(C)C
InChIInChI=1S/C30H46O4/c1-21(2)26-14-13-25(19-34-20-31-6)28(26)29(32-7)30(5)16-15-27(23(30)4)22(3)17-33-18-24-11-9-8-10-12-24/h8-12,21-22,26-27,29H,4,13-20H2,1-3,5-7H3/t22-,26-,27-,29-,30+/m0/s1
InChIKeyVMQFPFMDYJRQQU-CTBCRKBJSA-N
MW470.69 g/mol
LogP6.81
Rot. Bonds13

About [(2R)-2-[(1S,3R)-3-[(R)-methoxy-[(5S)-2-(methoxymethoxymethyl)-5-propan-2-ylcyclopenten-1-yl]methyl]-3-methyl-2-methylidenecyclopentyl]propoxy]methylbenzene

[(2R)-2-[(1S,3R)-3-[(R)-methoxy-[(5S)-2-(methoxymethoxymethyl)-5-propan-2-ylcyclopenten-1-yl]methyl]-3-methyl-2-methylidenecyclopentyl]propoxy]methylbenzene (PubChem CID 10895995) has the molecular formula C30H46O4 and a molecular weight of 470.69 g/mol. Its IUPAC name is [(2R)-2-[(1S,3R)-3-[(R)-methoxy-[(5S)-2-(methoxymethoxymethyl)-5-propan-2-ylcyclopenten-1-yl]methyl]-3-methyl-2-methylidenecyclopentyl]propoxy]methylbenzene.

Molecular Properties

Compound Name[(2R)-2-[(1S,3R)-3-[(R)-methoxy-[(5S)-2-(methoxymethoxymethyl)-5-propan-2-ylcyclopenten-1-yl]methyl]-3-methyl-2-methylidenecyclopentyl]propoxy]methylbenzene
PubChem CID10895995
Molecular FormulaC30H46O4
Molecular Weight470.69 g/mol
Exact Mass470.34
IUPAC Name[(2R)-2-[(1S,3R)-3-[(R)-methoxy-[(5S)-2-(methoxymethoxymethyl)-5-propan-2-ylcyclopenten-1-yl]methyl]-3-methyl-2-methylidenecyclopentyl]propoxy]methylbenzene
SMILESC=C1[C@H]([C@@H](C)COCc2ccccc2)CC[C@@]1(C)[C@@H](OC)C1=C(COCOC)CC[C@H]1C(C)C
InChIInChI=1S/C30H46O4/c1-21(2)26-14-13-25(19-34-20-31-6)28(26)29(32-7)30(5)16-15-27(23(30)4)22(3)17-33-18-24-11-9-8-10-12-24/h8-12,21-22,26-27,29H,4,13-20H2,1-3,5-7H3/t22-,26-,27-,29-,30+/m0/s1
InChIKeyVMQFPFMDYJRQQU-CTBCRKBJSA-N
XLogP6.81
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.69
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(S)-[(5S)-2-(methoxymethyl)-5-prop-1-en-2-ylcyclopenten-1-yl]-[(1S,3R)-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]methanol
CID 11012599
[(2S)-2-[(1R)-2-(chloromethyl)-3-methylcyclopent-2-en-1-yl]propoxy]methylbenzene
CID 11437413
[(2R)-2-ethoxy-3-(methoxymethoxy)propoxy]methylbenzene
CID 140879389
trans-(2S,5R)-5-methyl-2-[(2R)-1-phenylmethoxypropan-2-yl]cyclohexan-1-one
CID 10539288
(1aS,3aR,4R,6aR,6bR)-3a-methyl-4-[(2S)-1-phenylmethoxypropan-2-yl]-1a,2,3,4,5,6,6a,6b-octahydroindeno[4,5-b]oxirene
CID 135011125
(4S,5R,6R)-5-methyl-4-pent-4-en-2-yl-6-[(2R)-1-phenylmethoxypropan-2-yl]-1,3-dioxane
CID 134937910
1,4-bis(methoxymethoxymethyl)benzene
CID 121009952
[(2S,3E)-2-methyl-3-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]propoxy]methylbenzene
CID 101088231
2-methylidene-1-[(2R)-1-phenylmethoxypropan-2-yl]aziridine
CID 15857664
CID 89311949
CID 89311949
(4R,6S)-2,2-dimethyl-4-phenyl-6-[(2S)-1-phenylmethoxypropan-2-yl]-1,3-dioxane
CID 56651452
1-methoxy-N,N-dimethyl-3-phenylmethoxypropan-2-amine
CID 123394130

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(1S,3R)-3-[(R)-methoxy-[(5S)-2-(methoxymethoxymethyl)-5-propan-2-ylcyclopenten-1-yl]methyl]-3-methyl-2-methylidenecyclopentyl]propoxy]methylbenzene?
The IUPAC name of [(2R)-2-[(1S,3R)-3-[(R)-methoxy-[(5S)-2-(methoxymethoxymethyl)-5-propan-2-ylcyclopenten-1-yl]methyl]-3-methyl-2-methylidenecyclopentyl]propoxy]methylbenzene (CID 10895995) is [(2R)-2-[(1S,3R)-3-[(R)-methoxy-[(5S)-2-(methoxymethoxymethyl)-5-propan-2-ylcyclopenten-1-yl]methyl]-3-methyl-2-methylidenecyclopentyl]propoxy]methylbenzene.
What is the SMILES notation for [(2R)-2-[(1S,3R)-3-[(R)-methoxy-[(5S)-2-(methoxymethoxymethyl)-5-propan-2-ylcyclopenten-1-yl]methyl]-3-methyl-2-methylidenecyclopentyl]propoxy]methylbenzene?
The canonical SMILES for [(2R)-2-[(1S,3R)-3-[(R)-methoxy-[(5S)-2-(methoxymethoxymethyl)-5-propan-2-ylcyclopenten-1-yl]methyl]-3-methyl-2-methylidenecyclopentyl]propoxy]methylbenzene is C=C1[C@H]([C@@H](C)COCc2ccccc2)CC[C@@]1(C)[C@@H](OC)C1=C(COCOC)CC[C@H]1C(C)C.
What is the InChIKey of [(2R)-2-[(1S,3R)-3-[(R)-methoxy-[(5S)-2-(methoxymethoxymethyl)-5-propan-2-ylcyclopenten-1-yl]methyl]-3-methyl-2-methylidenecyclopentyl]propoxy]methylbenzene?
The InChIKey is VMQFPFMDYJRQQU-CTBCRKBJSA-N. The full InChI is InChI=1S/C30H46O4/c1-21(2)26-14-13-25(19-34-20-31-6)28(26)29(32-7)30(5)16-15-27(23(30)4)22(3)17-33-18-24-11-9-8-10-12-24/h8-12,21-22,26-27,29H,4,13-20H2,1-3,5-7H3/t22-,26-,27-,29-,30+/m0/s1.
What are the key properties of [(2R)-2-[(1S,3R)-3-[(R)-methoxy-[(5S)-2-(methoxymethoxymethyl)-5-propan-2-ylcyclopenten-1-yl]methyl]-3-methyl-2-methylidenecyclopentyl]propoxy]methylbenzene?
[(2R)-2-[(1S,3R)-3-[(R)-methoxy-[(5S)-2-(methoxymethoxymethyl)-5-propan-2-ylcyclopenten-1-yl]methyl]-3-methyl-2-methylidenecyclopentyl]propoxy]methylbenzene has a molecular weight of 470.69 g/mol, XLogP of 6.81, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(1S,3R)-3-[(R)-methoxy-[(5S)-2-(methoxymethoxymethyl)-5-propan-2-ylcyclopenten-1-yl]methyl]-3-methyl-2-methylidenecyclopentyl]propoxy]methylbenzene is sourced from PubChem (CID 10895995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).