(1S,2S,3R)-2-(2,2-dimethylpent-4-enyl)-3-methyl-1-(2-methylprop-2-enyl)cyclopentan-1-ol

C17H30O — CID 10753211

IUPAC(1S,2S,3R)-2-(2,2-dimethylpent-4-enyl)-3-methyl-1-(2-methylprop-2-enyl)cyclopentan-1-ol
SMILESC=CCC(C)(C)C[C@H]1[C@H](C)CC[C@]1(O)CC(=C)C
InChIInChI=1S/C17H30O/c1-7-9-16(5,6)12-15-14(4)8-10-17(15,18)11-13(2)3/h7,14-15,18H,1-2,8-12H2,3-6H3/t14-,15+,17+/m1/s1
InChIKeyGIIAPBWSGDMVLN-VYDXJSESSA-N
MW250.43 g/mol
LogP4.72
Rot. Bonds6

About (1S,2S,3R)-2-(2,2-dimethylpent-4-enyl)-3-methyl-1-(2-methylprop-2-enyl)cyclopentan-1-ol

(1S,2S,3R)-2-(2,2-dimethylpent-4-enyl)-3-methyl-1-(2-methylprop-2-enyl)cyclopentan-1-ol (PubChem CID 10753211) has the molecular formula C17H30O and a molecular weight of 250.43 g/mol. Its IUPAC name is (1S,2S,3R)-2-(2,2-dimethylpent-4-enyl)-3-methyl-1-(2-methylprop-2-enyl)cyclopentan-1-ol.

Molecular Properties

Compound Name(1S,2S,3R)-2-(2,2-dimethylpent-4-enyl)-3-methyl-1-(2-methylprop-2-enyl)cyclopentan-1-ol
PubChem CID10753211
Molecular FormulaC17H30O
Molecular Weight250.43 g/mol
Exact Mass250.23
IUPAC Name(1S,2S,3R)-2-(2,2-dimethylpent-4-enyl)-3-methyl-1-(2-methylprop-2-enyl)cyclopentan-1-ol
SMILESC=CCC(C)(C)C[C@H]1[C@H](C)CC[C@]1(O)CC(=C)C
InChIInChI=1S/C17H30O/c1-7-9-16(5,6)12-15-14(4)8-10-17(15,18)11-13(2)3/h7,14-15,18H,1-2,8-12H2,3-6H3/t14-,15+,17+/m1/s1
InChIKeyGIIAPBWSGDMVLN-VYDXJSESSA-N
XLogP4.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Plinol
CID 20046
(1S,3aR,8aS)-1-methyl-4-methylene-2,3,3a,5,6,8a-hexahydroazulen-1-ol
CID 10654917
(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
(1R,3aR,8aR)-3a,6-dimethyl-1-(propan-2-yl)-1,2,3,3a,4,7,8,8a-octahydroazulen-1-ol
CID 101037932
(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
Dactylol
CID 11020496
4beta-8-Daucen-4-ol
CID 78409356
2-[(1R,3aR,4E,6R,12aS)-3a,6,10-trimethyl-2,3,6,7,8,11,12,12a-octahydro-1H-cyclopenta[11]annulen-1-yl]propan-2-ol
CID 53320098
(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
dictamtrinor-guaianol E
CID 10058083

Frequently Asked Questions

What is the IUPAC name of (1S,2S,3R)-2-(2,2-dimethylpent-4-enyl)-3-methyl-1-(2-methylprop-2-enyl)cyclopentan-1-ol?
The IUPAC name of (1S,2S,3R)-2-(2,2-dimethylpent-4-enyl)-3-methyl-1-(2-methylprop-2-enyl)cyclopentan-1-ol (CID 10753211) is (1S,2S,3R)-2-(2,2-dimethylpent-4-enyl)-3-methyl-1-(2-methylprop-2-enyl)cyclopentan-1-ol.
What is the SMILES notation for (1S,2S,3R)-2-(2,2-dimethylpent-4-enyl)-3-methyl-1-(2-methylprop-2-enyl)cyclopentan-1-ol?
The canonical SMILES for (1S,2S,3R)-2-(2,2-dimethylpent-4-enyl)-3-methyl-1-(2-methylprop-2-enyl)cyclopentan-1-ol is C=CCC(C)(C)C[C@H]1[C@H](C)CC[C@]1(O)CC(=C)C.
What is the InChIKey of (1S,2S,3R)-2-(2,2-dimethylpent-4-enyl)-3-methyl-1-(2-methylprop-2-enyl)cyclopentan-1-ol?
The InChIKey is GIIAPBWSGDMVLN-VYDXJSESSA-N. The full InChI is InChI=1S/C17H30O/c1-7-9-16(5,6)12-15-14(4)8-10-17(15,18)11-13(2)3/h7,14-15,18H,1-2,8-12H2,3-6H3/t14-,15+,17+/m1/s1.
What are the key properties of (1S,2S,3R)-2-(2,2-dimethylpent-4-enyl)-3-methyl-1-(2-methylprop-2-enyl)cyclopentan-1-ol?
(1S,2S,3R)-2-(2,2-dimethylpent-4-enyl)-3-methyl-1-(2-methylprop-2-enyl)cyclopentan-1-ol has a molecular weight of 250.43 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3R)-2-(2,2-dimethylpent-4-enyl)-3-methyl-1-(2-methylprop-2-enyl)cyclopentan-1-ol is sourced from PubChem (CID 10753211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).