(1S)-4-(7a-methyl-4-triethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl)-1-cyclopropylpent-2-en-1-ol

C24H44O2Si — CID 66916017

IUPAC(1S)-4-(7a-methyl-4-triethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl)-1-cyclopropylpent-2-en-1-ol
SMILESCC[Si](CC)(CC)OC1CCCC2(C)C(C(C)C=C[C@@H](O)C3CC3)CCC12
InChIInChI=1S/C24H44O2Si/c1-6-27(7-2,8-3)26-23-10-9-17-24(5)20(14-15-21(23)24)18(4)11-16-22(25)19-12-13-19/h11,16,18-23,25H,6-10,12-15,17H2,1-5H3/t18?,20?,21?,22-,23?,24?/m1/s1
InChIKeyGVTCXOMHYBZKDY-RNFJYWQKSA-N
MW392.70 g/mol
LogP6.56
Rot. Bonds9

About (1S)-4-(7a-methyl-4-triethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl)-1-cyclopropylpent-2-en-1-ol

(1S)-4-(7a-methyl-4-triethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl)-1-cyclopropylpent-2-en-1-ol (PubChem CID 66916017) has the molecular formula C24H44O2Si and a molecular weight of 392.70 g/mol. Its IUPAC name is (1S)-4-(7a-methyl-4-triethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl)-1-cyclopropylpent-2-en-1-ol.

Molecular Properties

Compound Name(1S)-4-(7a-methyl-4-triethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl)-1-cyclopropylpent-2-en-1-ol
PubChem CID66916017
Molecular FormulaC24H44O2Si
Molecular Weight392.70 g/mol
Exact Mass392.31
IUPAC Name(1S)-4-(7a-methyl-4-triethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl)-1-cyclopropylpent-2-en-1-ol
SMILESCC[Si](CC)(CC)OC1CCCC2(C)C(C(C)C=C[C@@H](O)C3CC3)CCC12
InChIInChI=1S/C24H44O2Si/c1-6-27(7-2,8-3)26-23-10-9-17-24(5)20(14-15-21(23)24)18(4)11-16-22(25)19-12-13-19/h11,16,18-23,25H,6-10,12-15,17H2,1-5H3/t18?,20?,21?,22-,23?,24?/m1/s1
InChIKeyGVTCXOMHYBZKDY-RNFJYWQKSA-N
XLogP6.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.70
LogP ≤ 56.56
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 (1S)-4-(7a-methyl-4-triethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl)-1-cyclopropylpent-2-en-1-ol?
The IUPAC name of (1S)-4-(7a-methyl-4-triethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl)-1-cyclopropylpent-2-en-1-ol (CID 66916017) is (1S)-4-(7a-methyl-4-triethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl)-1-cyclopropylpent-2-en-1-ol.
What is the SMILES notation for (1S)-4-(7a-methyl-4-triethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl)-1-cyclopropylpent-2-en-1-ol?
The canonical SMILES for (1S)-4-(7a-methyl-4-triethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl)-1-cyclopropylpent-2-en-1-ol is CC[Si](CC)(CC)OC1CCCC2(C)C(C(C)C=C[C@@H](O)C3CC3)CCC12.
What is the InChIKey of (1S)-4-(7a-methyl-4-triethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl)-1-cyclopropylpent-2-en-1-ol?
The InChIKey is GVTCXOMHYBZKDY-RNFJYWQKSA-N. The full InChI is InChI=1S/C24H44O2Si/c1-6-27(7-2,8-3)26-23-10-9-17-24(5)20(14-15-21(23)24)18(4)11-16-22(25)19-12-13-19/h11,16,18-23,25H,6-10,12-15,17H2,1-5H3/t18?,20?,21?,22-,23?,24?/m1/s1.
What are the key properties of (1S)-4-(7a-methyl-4-triethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl)-1-cyclopropylpent-2-en-1-ol?
(1S)-4-(7a-methyl-4-triethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl)-1-cyclopropylpent-2-en-1-ol has a molecular weight of 392.70 g/mol, XLogP of 6.56, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-4-(7a-methyl-4-triethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl)-1-cyclopropylpent-2-en-1-ol is sourced from PubChem (CID 66916017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).