(1S,2R,3S)-3-[(5S)-5-hydroxy-6-methylhepta-1,6-dien-2-yl]-1,2-dimethylcyclopentan-1-ol

C15H26O2 — CID 53244060

IUPAC(1S,2R,3S)-3-[(5S)-5-hydroxy-6-methylhepta-1,6-dien-2-yl]-1,2-dimethylcyclopentan-1-ol
SMILESC=C(CC[C@H](O)C(=C)C)[C@H]1CC[C@](C)(O)[C@@H]1C
InChIInChI=1S/C15H26O2/c1-10(2)14(16)7-6-11(3)13-8-9-15(5,17)12(13)4/h12-14,16-17H,1,3,6-9H2,2,4-5H3/t12-,13-,14+,15+/m1/s1
InChIKeyWQHJZSVFGGLMGT-KBXIAJHMSA-N
MW238.37 g/mol
LogP3.06
Rot. Bonds5

About (1S,2R,3S)-3-[(5S)-5-hydroxy-6-methylhepta-1,6-dien-2-yl]-1,2-dimethylcyclopentan-1-ol

(1S,2R,3S)-3-[(5S)-5-hydroxy-6-methylhepta-1,6-dien-2-yl]-1,2-dimethylcyclopentan-1-ol (PubChem CID 53244060) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (1S,2R,3S)-3-[(5S)-5-hydroxy-6-methylhepta-1,6-dien-2-yl]-1,2-dimethylcyclopentan-1-ol.

Molecular Properties

Compound Name(1S,2R,3S)-3-[(5S)-5-hydroxy-6-methylhepta-1,6-dien-2-yl]-1,2-dimethylcyclopentan-1-ol
PubChem CID53244060
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(1S,2R,3S)-3-[(5S)-5-hydroxy-6-methylhepta-1,6-dien-2-yl]-1,2-dimethylcyclopentan-1-ol
SMILESC=C(CC[C@H](O)C(=C)C)[C@H]1CC[C@](C)(O)[C@@H]1C
InChIInChI=1S/C15H26O2/c1-10(2)14(16)7-6-11(3)13-8-9-15(5,17)12(13)4/h12-14,16-17H,1,3,6-9H2,2,4-5H3/t12-,13-,14+,15+/m1/s1
InChIKeyWQHJZSVFGGLMGT-KBXIAJHMSA-N
XLogP3.06
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S,2R,3S)-3-[(5S)-5-hydroxy-6-methylhepta-1,6-dien-2-yl]-1,2-dimethylcyclopentan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

6-(3-hydroxy-2,3-dimethylcyclopentyl)-2-methylhept-6-ene-2,3-diol
CID 14336607
(3R)-6-[(1S,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-2-methylhept-6-ene-2,3-diol
CID 162867626
17-(5-hydroxy-6-methylhepta-1,6-dien-2-yl)-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CID 73082657
(3E)-6-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-2-methylhepta-3,6-diene-1,2-diol
CID 163051135
[(3S,5R,8R,9R,10R,13R,14R,17S)-17-(5-hydroxy-6-methylhepta-1,6-dien-2-yl)-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
CID 91668425
1,2,3-trimethylcyclopentan-1-ol
CID 23077337
(1S,3S,4S)-4-bromo-3-chloro-1-(5-hydroxy-6-methylhepta-1,6-dien-2-yl)-4-methylcyclohexan-1-ol
CID 11843978
17-(5-hydroxy-6-methylhepta-1,6-dien-2-yl)-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 20980836
(1S,2S,4S,7R)-7-[(3S)-3-hydroxy-4-methylpent-4-enyl]-1,7-dimethylbicyclo[2.2.1]heptan-2-ol
CID 162886605
1-(3-hydroxy-2,3,6-trimethylcyclohexyl)ethanone
CID 15747683
2-methylnon-1-ene-3,7-diol
CID 140997811
2-methyl-6-methylideneocta-1,7-dien-3-ol
CID 534462

Frequently Asked Questions

What is the IUPAC name of (1S,2R,3S)-3-[(5S)-5-hydroxy-6-methylhepta-1,6-dien-2-yl]-1,2-dimethylcyclopentan-1-ol?
The IUPAC name of (1S,2R,3S)-3-[(5S)-5-hydroxy-6-methylhepta-1,6-dien-2-yl]-1,2-dimethylcyclopentan-1-ol (CID 53244060) is (1S,2R,3S)-3-[(5S)-5-hydroxy-6-methylhepta-1,6-dien-2-yl]-1,2-dimethylcyclopentan-1-ol.
What is the SMILES notation for (1S,2R,3S)-3-[(5S)-5-hydroxy-6-methylhepta-1,6-dien-2-yl]-1,2-dimethylcyclopentan-1-ol?
The canonical SMILES for (1S,2R,3S)-3-[(5S)-5-hydroxy-6-methylhepta-1,6-dien-2-yl]-1,2-dimethylcyclopentan-1-ol is C=C(CC[C@H](O)C(=C)C)[C@H]1CC[C@](C)(O)[C@@H]1C.
What is the InChIKey of (1S,2R,3S)-3-[(5S)-5-hydroxy-6-methylhepta-1,6-dien-2-yl]-1,2-dimethylcyclopentan-1-ol?
The InChIKey is WQHJZSVFGGLMGT-KBXIAJHMSA-N. The full InChI is InChI=1S/C15H26O2/c1-10(2)14(16)7-6-11(3)13-8-9-15(5,17)12(13)4/h12-14,16-17H,1,3,6-9H2,2,4-5H3/t12-,13-,14+,15+/m1/s1.
What are the key properties of (1S,2R,3S)-3-[(5S)-5-hydroxy-6-methylhepta-1,6-dien-2-yl]-1,2-dimethylcyclopentan-1-ol?
(1S,2R,3S)-3-[(5S)-5-hydroxy-6-methylhepta-1,6-dien-2-yl]-1,2-dimethylcyclopentan-1-ol has a molecular weight of 238.37 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3S)-3-[(5S)-5-hydroxy-6-methylhepta-1,6-dien-2-yl]-1,2-dimethylcyclopentan-1-ol is sourced from PubChem (CID 53244060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).