(S)-[(5S)-5-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methylcyclopenten-1-yl]-[(1S,3R)-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]methanol

C26H48O2Si — CID 11080315

IUPAC(S)-[(5S)-5-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methylcyclopenten-1-yl]-[(1S,3R)-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]methanol
SMILESC=C1[C@@H](C(C)C)CC[C@]1(C)[C@H](O)C1=C(C)CC[C@H]1[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H48O2Si/c1-17(2)21-14-15-26(9,20(21)5)24(27)23-18(3)12-13-22(23)19(4)16-28-29(10,11)25(6,7)8/h17,19,21-22,24,27H,5,12-16H2,1-4,6-11H3/t19-,21+,22-,24+,26-/m0/s1
InChIKeyAXPOSSXKNDNVTO-VWHIMMRESA-N
MW420.75 g/mol
LogP7.36
Rot. Bonds7

About (S)-[(5S)-5-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methylcyclopenten-1-yl]-[(1S,3R)-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]methanol

(S)-[(5S)-5-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methylcyclopenten-1-yl]-[(1S,3R)-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]methanol (PubChem CID 11080315) has the molecular formula C26H48O2Si and a molecular weight of 420.75 g/mol. Its IUPAC name is (S)-[(5S)-5-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methylcyclopenten-1-yl]-[(1S,3R)-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]methanol.

Molecular Properties

Compound Name(S)-[(5S)-5-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methylcyclopenten-1-yl]-[(1S,3R)-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]methanol
PubChem CID11080315
Molecular FormulaC26H48O2Si
Molecular Weight420.75 g/mol
Exact Mass420.34
IUPAC Name(S)-[(5S)-5-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methylcyclopenten-1-yl]-[(1S,3R)-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]methanol
SMILESC=C1[C@@H](C(C)C)CC[C@]1(C)[C@H](O)C1=C(C)CC[C@H]1[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H48O2Si/c1-17(2)21-14-15-26(9,20(21)5)24(27)23-18(3)12-13-22(23)19(4)16-28-29(10,11)25(6,7)8/h17,19,21-22,24,27H,5,12-16H2,1-4,6-11H3/t19-,21+,22-,24+,26-/m0/s1
InChIKeyAXPOSSXKNDNVTO-VWHIMMRESA-N
XLogP7.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.75
LogP ≤ 57.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (S)-[(5S)-5-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methylcyclopenten-1-yl]-[(1S,3R)-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]methanol?
The IUPAC name of (S)-[(5S)-5-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methylcyclopenten-1-yl]-[(1S,3R)-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]methanol (CID 11080315) is (S)-[(5S)-5-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methylcyclopenten-1-yl]-[(1S,3R)-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]methanol.
What is the SMILES notation for (S)-[(5S)-5-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methylcyclopenten-1-yl]-[(1S,3R)-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]methanol?
The canonical SMILES for (S)-[(5S)-5-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methylcyclopenten-1-yl]-[(1S,3R)-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]methanol is C=C1[C@@H](C(C)C)CC[C@]1(C)[C@H](O)C1=C(C)CC[C@H]1[C@@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (S)-[(5S)-5-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methylcyclopenten-1-yl]-[(1S,3R)-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]methanol?
The InChIKey is AXPOSSXKNDNVTO-VWHIMMRESA-N. The full InChI is InChI=1S/C26H48O2Si/c1-17(2)21-14-15-26(9,20(21)5)24(27)23-18(3)12-13-22(23)19(4)16-28-29(10,11)25(6,7)8/h17,19,21-22,24,27H,5,12-16H2,1-4,6-11H3/t19-,21+,22-,24+,26-/m0/s1.
What are the key properties of (S)-[(5S)-5-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methylcyclopenten-1-yl]-[(1S,3R)-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]methanol?
(S)-[(5S)-5-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methylcyclopenten-1-yl]-[(1S,3R)-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]methanol has a molecular weight of 420.75 g/mol, XLogP of 7.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[(5S)-5-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methylcyclopenten-1-yl]-[(1S,3R)-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]methanol is sourced from PubChem (CID 11080315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).