(Z)-8-[(3aS,7R,7aR)-7-[tert-butyl(dimethyl)silyl]oxy-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl]-2-methyloct-7-en-2-ol

C24H46O2Si — CID 11257931

IUPAC(Z)-8-[(3aS,7R,7aR)-7-[tert-butyl(dimethyl)silyl]oxy-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl]-2-methyloct-7-en-2-ol
SMILESCC(C)(O)CCCC/C=C\[C@]12CCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CCC2
InChIInChI=1S/C24H46O2Si/c1-22(2,3)27(6,7)26-21-15-13-19-24(18-12-14-20(21)24)17-11-9-8-10-16-23(4,5)25/h11,17,20-21,25H,8-10,12-16,18-19H2,1-7H3/b17-11-/t20-,21+,24-/m0/s1
InChIKeyHOLKIDVFUSSPKT-VAWCDJHCSA-N
MW394.72 g/mol
LogP7.23
Rot. Bonds8

About (Z)-8-[(3aS,7R,7aR)-7-[tert-butyl(dimethyl)silyl]oxy-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl]-2-methyloct-7-en-2-ol

(Z)-8-[(3aS,7R,7aR)-7-[tert-butyl(dimethyl)silyl]oxy-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl]-2-methyloct-7-en-2-ol (PubChem CID 11257931) has the molecular formula C24H46O2Si and a molecular weight of 394.72 g/mol. Its IUPAC name is (Z)-8-[(3aS,7R,7aR)-7-[tert-butyl(dimethyl)silyl]oxy-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl]-2-methyloct-7-en-2-ol.

Molecular Properties

Compound Name(Z)-8-[(3aS,7R,7aR)-7-[tert-butyl(dimethyl)silyl]oxy-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl]-2-methyloct-7-en-2-ol
PubChem CID11257931
Molecular FormulaC24H46O2Si
Molecular Weight394.72 g/mol
Exact Mass394.33
IUPAC Name(Z)-8-[(3aS,7R,7aR)-7-[tert-butyl(dimethyl)silyl]oxy-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl]-2-methyloct-7-en-2-ol
SMILESCC(C)(O)CCCC/C=C\[C@]12CCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CCC2
InChIInChI=1S/C24H46O2Si/c1-22(2,3)27(6,7)26-21-15-13-19-24(18-12-14-20(21)24)17-11-9-8-10-16-23(4,5)25/h11,17,20-21,25H,8-10,12-16,18-19H2,1-7H3/b17-11-/t20-,21+,24-/m0/s1
InChIKeyHOLKIDVFUSSPKT-VAWCDJHCSA-N
XLogP7.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.72
LogP ≤ 57.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 (Z)-8-[(3aS,7R,7aR)-7-[tert-butyl(dimethyl)silyl]oxy-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl]-2-methyloct-7-en-2-ol?
The IUPAC name of (Z)-8-[(3aS,7R,7aR)-7-[tert-butyl(dimethyl)silyl]oxy-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl]-2-methyloct-7-en-2-ol (CID 11257931) is (Z)-8-[(3aS,7R,7aR)-7-[tert-butyl(dimethyl)silyl]oxy-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl]-2-methyloct-7-en-2-ol.
What is the SMILES notation for (Z)-8-[(3aS,7R,7aR)-7-[tert-butyl(dimethyl)silyl]oxy-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl]-2-methyloct-7-en-2-ol?
The canonical SMILES for (Z)-8-[(3aS,7R,7aR)-7-[tert-butyl(dimethyl)silyl]oxy-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl]-2-methyloct-7-en-2-ol is CC(C)(O)CCCC/C=C\[C@]12CCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CCC2.
What is the InChIKey of (Z)-8-[(3aS,7R,7aR)-7-[tert-butyl(dimethyl)silyl]oxy-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl]-2-methyloct-7-en-2-ol?
The InChIKey is HOLKIDVFUSSPKT-VAWCDJHCSA-N. The full InChI is InChI=1S/C24H46O2Si/c1-22(2,3)27(6,7)26-21-15-13-19-24(18-12-14-20(21)24)17-11-9-8-10-16-23(4,5)25/h11,17,20-21,25H,8-10,12-16,18-19H2,1-7H3/b17-11-/t20-,21+,24-/m0/s1.
What are the key properties of (Z)-8-[(3aS,7R,7aR)-7-[tert-butyl(dimethyl)silyl]oxy-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl]-2-methyloct-7-en-2-ol?
(Z)-8-[(3aS,7R,7aR)-7-[tert-butyl(dimethyl)silyl]oxy-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl]-2-methyloct-7-en-2-ol has a molecular weight of 394.72 g/mol, XLogP of 7.23, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-8-[(3aS,7R,7aR)-7-[tert-butyl(dimethyl)silyl]oxy-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl]-2-methyloct-7-en-2-ol is sourced from PubChem (CID 11257931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).