(1S,4S,7S)-7-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-4-methylcyclohept-2-en-1-ol

C17H34O2Si — CID 10614051

IUPAC(1S,4S,7S)-7-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-4-methylcyclohept-2-en-1-ol
SMILESC[C@@H]1C=C[C@H](O)[C@H]([C@H](C)CO[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C17H34O2Si/c1-13-8-10-15(16(18)11-9-13)14(2)12-19-20(6,7)17(3,4)5/h9,11,13-16,18H,8,10,12H2,1-7H3/t13-,14+,15-,16-/m0/s1
InChIKeyGXUSYNGBTSRYHO-FZKCQIBNSA-N
MW298.54 g/mol
LogP4.61
Rot. Bonds4

About (1S,4S,7S)-7-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-4-methylcyclohept-2-en-1-ol

(1S,4S,7S)-7-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-4-methylcyclohept-2-en-1-ol (PubChem CID 10614051) has the molecular formula C17H34O2Si and a molecular weight of 298.54 g/mol. Its IUPAC name is (1S,4S,7S)-7-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-4-methylcyclohept-2-en-1-ol.

Molecular Properties

Compound Name(1S,4S,7S)-7-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-4-methylcyclohept-2-en-1-ol
PubChem CID10614051
Molecular FormulaC17H34O2Si
Molecular Weight298.54 g/mol
Exact Mass298.23
IUPAC Name(1S,4S,7S)-7-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-4-methylcyclohept-2-en-1-ol
SMILESC[C@@H]1C=C[C@H](O)[C@H]([C@H](C)CO[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C17H34O2Si/c1-13-8-10-15(16(18)11-9-13)14(2)12-19-20(6,7)17(3,4)5/h9,11,13-16,18H,8,10,12H2,1-7H3/t13-,14+,15-,16-/m0/s1
InChIKeyGXUSYNGBTSRYHO-FZKCQIBNSA-N
XLogP4.61
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.54
LogP ≤ 54.61
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'}

Analyze (1S,4S,7S)-7-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-4-methylcyclohept-2-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,4S,7S)-7-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-4-methylcyclohept-2-en-1-ol?
The IUPAC name of (1S,4S,7S)-7-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-4-methylcyclohept-2-en-1-ol (CID 10614051) is (1S,4S,7S)-7-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-4-methylcyclohept-2-en-1-ol.
What is the SMILES notation for (1S,4S,7S)-7-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-4-methylcyclohept-2-en-1-ol?
The canonical SMILES for (1S,4S,7S)-7-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-4-methylcyclohept-2-en-1-ol is C[C@@H]1C=C[C@H](O)[C@H]([C@H](C)CO[Si](C)(C)C(C)(C)C)CC1.
What is the InChIKey of (1S,4S,7S)-7-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-4-methylcyclohept-2-en-1-ol?
The InChIKey is GXUSYNGBTSRYHO-FZKCQIBNSA-N. The full InChI is InChI=1S/C17H34O2Si/c1-13-8-10-15(16(18)11-9-13)14(2)12-19-20(6,7)17(3,4)5/h9,11,13-16,18H,8,10,12H2,1-7H3/t13-,14+,15-,16-/m0/s1.
What are the key properties of (1S,4S,7S)-7-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-4-methylcyclohept-2-en-1-ol?
(1S,4S,7S)-7-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-4-methylcyclohept-2-en-1-ol has a molecular weight of 298.54 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S,7S)-7-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-4-methylcyclohept-2-en-1-ol is sourced from PubChem (CID 10614051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).