(1R,2S,3R,5S)-3-[cyclohexa-2,5-dien-1-yl(dimethyl)silyl]-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol

C18H30OSi — CID 134906275

IUPAC(1R,2S,3R,5S)-3-[cyclohexa-2,5-dien-1-yl(dimethyl)silyl]-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol
SMILESC=C(C)[C@H]1C[C@@H](O)[C@H](C)[C@H]([Si](C)(C)C2C=CCC=C2)C1
InChIInChI=1S/C18H30OSi/c1-13(2)15-11-17(19)14(3)18(12-15)20(4,5)16-9-7-6-8-10-16/h7-10,14-19H,1,6,11-12H2,2-5H3/t14-,15-,17+,18+/m0/s1
InChIKeyHZRJQQKWNAFLMV-CWLKWCNXSA-N
MW290.52 g/mol
LogP4.93
Rot. Bonds3

About (1R,2S,3R,5S)-3-[cyclohexa-2,5-dien-1-yl(dimethyl)silyl]-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol

(1R,2S,3R,5S)-3-[cyclohexa-2,5-dien-1-yl(dimethyl)silyl]-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol (PubChem CID 134906275) has the molecular formula C18H30OSi and a molecular weight of 290.52 g/mol. Its IUPAC name is (1R,2S,3R,5S)-3-[cyclohexa-2,5-dien-1-yl(dimethyl)silyl]-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2S,3R,5S)-3-[cyclohexa-2,5-dien-1-yl(dimethyl)silyl]-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol
PubChem CID134906275
Molecular FormulaC18H30OSi
Molecular Weight290.52 g/mol
Exact Mass290.21
IUPAC Name(1R,2S,3R,5S)-3-[cyclohexa-2,5-dien-1-yl(dimethyl)silyl]-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol
SMILESC=C(C)[C@H]1C[C@@H](O)[C@H](C)[C@H]([Si](C)(C)C2C=CCC=C2)C1
InChIInChI=1S/C18H30OSi/c1-13(2)15-11-17(19)14(3)18(12-15)20(4,5)16-9-7-6-8-10-16/h7-10,14-19H,1,6,11-12H2,2-5H3/t14-,15-,17+,18+/m0/s1
InChIKeyHZRJQQKWNAFLMV-CWLKWCNXSA-N
XLogP4.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.52
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

(1R,2S,5R)-5-methyl-2-(6-methylhepta-1,5-dien-2-yl)cyclohexan-1-ol
CID 10656681
(1R,2S,5R)-5-methyl-2-(3-trimethylsilylprop-1-en-2-yl)cyclohexan-1-ol
CID 10799291
cis-(1S,2R)-2-[(E)-3-tri(propan-2-yl)silylprop-1-enyl]cyclohexan-1-ol
CID 101490649
cis-(1R,2S)-2-[(E)-3-trimethylsilylbut-1-enyl]cyclohexan-1-ol
CID 135066873
cis-(1R,2S)-2-[(E)-3-trimethylsilylprop-1-enyl]cyclohexan-1-ol
CID 135069286
(Z,1R,2S)-1-cyclohexyl-2-trimethylsilylpent-3-en-1-ol
CID 154716129
trans-(1S,2S)-2-[(Z)-3-tri(propan-2-yl)silylprop-1-enyl]cyclohexan-1-ol
CID 154723288
trans-(1S,2S)-2-[(E)-3-tri(propan-2-yl)silylprop-1-enyl]cyclohexan-1-ol
CID 154723421
3-[(1S,2S,4aR,8S,8aS)-2-methyl-8-tri(propan-2-yl)silyloxy-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]propan-1-ol
CID 10339769
[(1R,2S,4aR,8S,8aS)-2-methyl-8-tri(propan-2-yl)silyloxy-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]methanol
CID 10405780
1-Hydroxymethyl-8-(triisopropylsilyl)oxy-2-methyl-1beta-2alpha-(4A)beta,5,6,7,8beta,(8A)beta-octahydronaphthalene
CID 102064412
(1S,2S,5R)-5-methyl-2-(6-methylhepta-1,5-dien-2-yl)cyclohexan-1-ol
CID 102595838

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,5S)-3-[cyclohexa-2,5-dien-1-yl(dimethyl)silyl]-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol?
The IUPAC name of (1R,2S,3R,5S)-3-[cyclohexa-2,5-dien-1-yl(dimethyl)silyl]-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol (CID 134906275) is (1R,2S,3R,5S)-3-[cyclohexa-2,5-dien-1-yl(dimethyl)silyl]-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol.
What is the SMILES notation for (1R,2S,3R,5S)-3-[cyclohexa-2,5-dien-1-yl(dimethyl)silyl]-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol?
The canonical SMILES for (1R,2S,3R,5S)-3-[cyclohexa-2,5-dien-1-yl(dimethyl)silyl]-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol is C=C(C)[C@H]1C[C@@H](O)[C@H](C)[C@H]([Si](C)(C)C2C=CCC=C2)C1.
What is the InChIKey of (1R,2S,3R,5S)-3-[cyclohexa-2,5-dien-1-yl(dimethyl)silyl]-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol?
The InChIKey is HZRJQQKWNAFLMV-CWLKWCNXSA-N. The full InChI is InChI=1S/C18H30OSi/c1-13(2)15-11-17(19)14(3)18(12-15)20(4,5)16-9-7-6-8-10-16/h7-10,14-19H,1,6,11-12H2,2-5H3/t14-,15-,17+,18+/m0/s1.
What are the key properties of (1R,2S,3R,5S)-3-[cyclohexa-2,5-dien-1-yl(dimethyl)silyl]-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol?
(1R,2S,3R,5S)-3-[cyclohexa-2,5-dien-1-yl(dimethyl)silyl]-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol has a molecular weight of 290.52 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,5S)-3-[cyclohexa-2,5-dien-1-yl(dimethyl)silyl]-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol is sourced from PubChem (CID 134906275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).