(1R,2S,3R)-1-methyl-3-(6-methylhepta-1,5-dien-2-yl)-2-(trimethylsilylmethyl)cyclopentan-1-ol

C18H34OSi — CID 10913421

IUPAC(1R,2S,3R)-1-methyl-3-(6-methylhepta-1,5-dien-2-yl)-2-(trimethylsilylmethyl)cyclopentan-1-ol
SMILESC=C(CCC=C(C)C)[C@@H]1CC[C@@](C)(O)[C@H]1C[Si](C)(C)C
InChIInChI=1S/C18H34OSi/c1-14(2)9-8-10-15(3)16-11-12-18(4,19)17(16)13-20(5,6)7/h9,16-17,19H,3,8,10-13H2,1-2,4-7H3/t16-,17-,18+/m0/s1
InChIKeyVXAHAVWKHAZHDM-OKZBNKHCSA-N
MW294.56 g/mol
LogP5.40
Rot. Bonds6

About (1R,2S,3R)-1-methyl-3-(6-methylhepta-1,5-dien-2-yl)-2-(trimethylsilylmethyl)cyclopentan-1-ol

(1R,2S,3R)-1-methyl-3-(6-methylhepta-1,5-dien-2-yl)-2-(trimethylsilylmethyl)cyclopentan-1-ol (PubChem CID 10913421) has the molecular formula C18H34OSi and a molecular weight of 294.56 g/mol. Its IUPAC name is (1R,2S,3R)-1-methyl-3-(6-methylhepta-1,5-dien-2-yl)-2-(trimethylsilylmethyl)cyclopentan-1-ol.

Molecular Properties

Compound Name(1R,2S,3R)-1-methyl-3-(6-methylhepta-1,5-dien-2-yl)-2-(trimethylsilylmethyl)cyclopentan-1-ol
PubChem CID10913421
Molecular FormulaC18H34OSi
Molecular Weight294.56 g/mol
Exact Mass294.24
IUPAC Name(1R,2S,3R)-1-methyl-3-(6-methylhepta-1,5-dien-2-yl)-2-(trimethylsilylmethyl)cyclopentan-1-ol
SMILESC=C(CCC=C(C)C)[C@@H]1CC[C@@](C)(O)[C@H]1C[Si](C)(C)C
InChIInChI=1S/C18H34OSi/c1-14(2)9-8-10-15(3)16-11-12-18(4,19)17(16)13-20(5,6)7/h9,16-17,19H,3,8,10-13H2,1-2,4-7H3/t16-,17-,18+/m0/s1
InChIKeyVXAHAVWKHAZHDM-OKZBNKHCSA-N
XLogP5.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.56
LogP ≤ 55.40
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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Related Compounds

(1R,3aS,5E,9E,12aS)-3a,6,10-trimethyl-1-prop-1-en-2-yl-2,3,4,7,8,11,12,12a-octahydrocyclopenta[11]annulen-1-ol
CID 10039786
Isoedunol
CID 10401870
(3S,3aS,4Z,6S,9aR)-3,5,6-trimethyl-9-methylidene-2,3a,6,7,8,9a-hexahydro-1H-cyclopenta[8]annulen-3-ol
CID 46886692
(3R,3aR,4Z,6R,9aS)-3,5,6-trimethyl-9-methylidene-2,3a,6,7,8,9a-hexahydro-1H-cyclopenta[8]annulen-3-ol
CID 10727668
(1S,3aR,8aS)-1-methyl-4-methylidene-6-propan-2-yl-2,3,3a,5,8,8a-hexahydroazulen-1-ol
CID 162927020
(1R,3aR,5E,12aR)-3a,6,10-trimethyl-1-propan-2-yl-2,3,4,7,8,11,12,12a-octahydrocyclopenta[11]annulen-1-ol
CID 53321402
rel-(1R,3E,7E,11R,12R)-12-Hydroxy-3,7-dolabelladiene
CID 51040258
(1R,3aS,9E,12aS)-3a,6,10-trimethyl-1-prop-1-en-2-yl-2,3,4,7,8,11,12,12a-octahydrocyclopenta[11]annulen-1-ol
CID 162819124
(3S,3aS,6S,9aR)-3,5,6-trimethyl-9-methylidene-2,3a,6,7,8,9a-hexahydro-1H-cyclopenta[8]annulen-3-ol
CID 162927488
(3R,3aS,6R,9aS)-3,5,6-trimethyl-9-methylidene-2,3a,6,7,8,9a-hexahydro-1H-cyclopenta[8]annulen-3-ol
CID 162927489
(1R,3aR,9E,12aR)-3a,6,10-trimethyl-1-propan-2-yl-2,3,4,7,8,11,12,12a-octahydrocyclopenta[11]annulen-1-ol
CID 162996692
(3R,3aS,4Z,6R,9aS)-3,5,6-trimethyl-9-methylidene-2,3a,6,7,8,9a-hexahydro-1H-cyclopenta[8]annulen-3-ol
CID 163194330

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R)-1-methyl-3-(6-methylhepta-1,5-dien-2-yl)-2-(trimethylsilylmethyl)cyclopentan-1-ol?
The IUPAC name of (1R,2S,3R)-1-methyl-3-(6-methylhepta-1,5-dien-2-yl)-2-(trimethylsilylmethyl)cyclopentan-1-ol (CID 10913421) is (1R,2S,3R)-1-methyl-3-(6-methylhepta-1,5-dien-2-yl)-2-(trimethylsilylmethyl)cyclopentan-1-ol.
What is the SMILES notation for (1R,2S,3R)-1-methyl-3-(6-methylhepta-1,5-dien-2-yl)-2-(trimethylsilylmethyl)cyclopentan-1-ol?
The canonical SMILES for (1R,2S,3R)-1-methyl-3-(6-methylhepta-1,5-dien-2-yl)-2-(trimethylsilylmethyl)cyclopentan-1-ol is C=C(CCC=C(C)C)[C@@H]1CC[C@@](C)(O)[C@H]1C[Si](C)(C)C.
What is the InChIKey of (1R,2S,3R)-1-methyl-3-(6-methylhepta-1,5-dien-2-yl)-2-(trimethylsilylmethyl)cyclopentan-1-ol?
The InChIKey is VXAHAVWKHAZHDM-OKZBNKHCSA-N. The full InChI is InChI=1S/C18H34OSi/c1-14(2)9-8-10-15(3)16-11-12-18(4,19)17(16)13-20(5,6)7/h9,16-17,19H,3,8,10-13H2,1-2,4-7H3/t16-,17-,18+/m0/s1.
What are the key properties of (1R,2S,3R)-1-methyl-3-(6-methylhepta-1,5-dien-2-yl)-2-(trimethylsilylmethyl)cyclopentan-1-ol?
(1R,2S,3R)-1-methyl-3-(6-methylhepta-1,5-dien-2-yl)-2-(trimethylsilylmethyl)cyclopentan-1-ol has a molecular weight of 294.56 g/mol, XLogP of 5.40, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R)-1-methyl-3-(6-methylhepta-1,5-dien-2-yl)-2-(trimethylsilylmethyl)cyclopentan-1-ol is sourced from PubChem (CID 10913421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).