(1S,2S,5S,6S,7R)-2,5,7-trimethyl-6-tri(propan-2-yl)silyloxycyclohept-3-en-1-ol

C19H38O2Si — CID 11255876

IUPAC(1S,2S,5S,6S,7R)-2,5,7-trimethyl-6-tri(propan-2-yl)silyloxycyclohept-3-en-1-ol
SMILESCC(C)[Si](O[C@@H]1[C@H](C)[C@@H](O)[C@@H](C)C=C[C@@H]1C)(C(C)C)C(C)C
InChIInChI=1S/C19H38O2Si/c1-12(2)22(13(3)4,14(5)6)21-19-16(8)11-10-15(7)18(20)17(19)9/h10-20H,1-9H3/t15-,16-,17+,18-,19-/m0/s1
InChIKeyZPQXCFWQDDTYJN-OYSTVDSJSA-N
MW326.60 g/mol
LogP5.39
Rot. Bonds5

About (1S,2S,5S,6S,7R)-2,5,7-trimethyl-6-tri(propan-2-yl)silyloxycyclohept-3-en-1-ol

(1S,2S,5S,6S,7R)-2,5,7-trimethyl-6-tri(propan-2-yl)silyloxycyclohept-3-en-1-ol (PubChem CID 11255876) has the molecular formula C19H38O2Si and a molecular weight of 326.60 g/mol. Its IUPAC name is (1S,2S,5S,6S,7R)-2,5,7-trimethyl-6-tri(propan-2-yl)silyloxycyclohept-3-en-1-ol.

Molecular Properties

Compound Name(1S,2S,5S,6S,7R)-2,5,7-trimethyl-6-tri(propan-2-yl)silyloxycyclohept-3-en-1-ol
PubChem CID11255876
Molecular FormulaC19H38O2Si
Molecular Weight326.60 g/mol
Exact Mass326.26
IUPAC Name(1S,2S,5S,6S,7R)-2,5,7-trimethyl-6-tri(propan-2-yl)silyloxycyclohept-3-en-1-ol
SMILESCC(C)[Si](O[C@@H]1[C@H](C)[C@@H](O)[C@@H](C)C=C[C@@H]1C)(C(C)C)C(C)C
InChIInChI=1S/C19H38O2Si/c1-12(2)22(13(3)4,14(5)6)21-19-16(8)11-10-15(7)18(20)17(19)9/h10-20H,1-9H3/t15-,16-,17+,18-,19-/m0/s1
InChIKeyZPQXCFWQDDTYJN-OYSTVDSJSA-N
XLogP5.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.60
LogP ≤ 55.39
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,2S,5S,6S,7R)-2,5,7-trimethyl-6-tri(propan-2-yl)silyloxycyclohept-3-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

Related Compounds

(1R,2R,3R,4S,5S)-2-methyl-4-tri(propan-2-yl)silyloxy-6,8-dioxabicyclo[3.2.1]octan-3-ol
CID 10969136
3,6-dimethylcyclohex-4-ene-1,2-diol
CID 57145971
(2R,3S,4S)-3-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-ol
CID 25139138
cyclopenta-2,4-dien-1-yloxy-tri(propan-2-yl)silane
CID 15810782
acetic acid;(1R,4S)-4-tri(propan-2-yl)silyloxycyclopent-2-en-1-ol
CID 71355555
methyl (1S,2S,3R,3aR,4R,5R,7aS)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-2-methyl-1-tri(propan-2-yl)silyloxy-2,3,3a,4,5,7a-hexahydro-1H-indene-4-carboxylate
CID 101169063
(3R,4S)-2-(hydroxymethyl)-4-tri(propan-2-yl)silyloxy-3,4-dihydro-2H-pyran-3-ol
CID 172642176
tri(propan-2-yl)-[[(2R,3R,4R)-3-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-yl]oxy]silane
CID 11181065
tri(propan-2-yl)-[[(2R,3S,4S)-3-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-yl]oxy]silane
CID 101106919
(1R,2S,3S,3aS,6S,7R,7aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(hydroxymethyl)-2,5-dimethyl-3-tri(propan-2-yl)silyloxy-2,3,3a,6,7,7a-hexahydro-1H-inden-1-ol
CID 11409672
[(2S,3S,4S,5S,6R)-3,4-dimethyl-6-(2-trimethylsilylethynyl)-5-tri(propan-2-yl)silyloxyoxan-2-yl]methanol
CID 90365497
(4S,6R)-4-hydroxy-6-tri(propan-2-yl)silyloxycyclohept-2-en-1-one
CID 10990189

Frequently Asked Questions

What is the IUPAC name of (1S,2S,5S,6S,7R)-2,5,7-trimethyl-6-tri(propan-2-yl)silyloxycyclohept-3-en-1-ol?
The IUPAC name of (1S,2S,5S,6S,7R)-2,5,7-trimethyl-6-tri(propan-2-yl)silyloxycyclohept-3-en-1-ol (CID 11255876) is (1S,2S,5S,6S,7R)-2,5,7-trimethyl-6-tri(propan-2-yl)silyloxycyclohept-3-en-1-ol.
What is the SMILES notation for (1S,2S,5S,6S,7R)-2,5,7-trimethyl-6-tri(propan-2-yl)silyloxycyclohept-3-en-1-ol?
The canonical SMILES for (1S,2S,5S,6S,7R)-2,5,7-trimethyl-6-tri(propan-2-yl)silyloxycyclohept-3-en-1-ol is CC(C)[Si](O[C@@H]1[C@H](C)[C@@H](O)[C@@H](C)C=C[C@@H]1C)(C(C)C)C(C)C.
What is the InChIKey of (1S,2S,5S,6S,7R)-2,5,7-trimethyl-6-tri(propan-2-yl)silyloxycyclohept-3-en-1-ol?
The InChIKey is ZPQXCFWQDDTYJN-OYSTVDSJSA-N. The full InChI is InChI=1S/C19H38O2Si/c1-12(2)22(13(3)4,14(5)6)21-19-16(8)11-10-15(7)18(20)17(19)9/h10-20H,1-9H3/t15-,16-,17+,18-,19-/m0/s1.
What are the key properties of (1S,2S,5S,6S,7R)-2,5,7-trimethyl-6-tri(propan-2-yl)silyloxycyclohept-3-en-1-ol?
(1S,2S,5S,6S,7R)-2,5,7-trimethyl-6-tri(propan-2-yl)silyloxycyclohept-3-en-1-ol has a molecular weight of 326.60 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,5S,6S,7R)-2,5,7-trimethyl-6-tri(propan-2-yl)silyloxycyclohept-3-en-1-ol is sourced from PubChem (CID 11255876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).