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

C15H26O2 — CID 11831495

IUPAC(1R,2S,3R)-3-(5-hydroxy-6-methylhepta-1,6-dien-2-yl)-1,2-dimethylcyclopentan-1-ol
SMILESC=C(C)C(O)CCC(=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+/m0/s1
InChIKeyWQHJZSVFGGLMGT-ZAQQFOKRSA-N
MW238.37 g/mol
LogP3.06
Rot. Bonds5

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

(1R,2S,3R)-3-(5-hydroxy-6-methylhepta-1,6-dien-2-yl)-1,2-dimethylcyclopentan-1-ol (PubChem CID 11831495) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (1R,2S,3R)-3-(5-hydroxy-6-methylhepta-1,6-dien-2-yl)-1,2-dimethylcyclopentan-1-ol.

Molecular Properties

Compound Name(1R,2S,3R)-3-(5-hydroxy-6-methylhepta-1,6-dien-2-yl)-1,2-dimethylcyclopentan-1-ol
PubChem CID11831495
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(1R,2S,3R)-3-(5-hydroxy-6-methylhepta-1,6-dien-2-yl)-1,2-dimethylcyclopentan-1-ol
SMILESC=C(C)C(O)CCC(=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+/m0/s1
InChIKeyWQHJZSVFGGLMGT-ZAQQFOKRSA-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 (1R,2S,3R)-3-(5-hydroxy-6-methylhepta-1,6-dien-2-yl)-1,2-dimethylcyclopentan-1-ol with MolForge

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Related Compounds

(-)-Chokol A
CID 181328
3-(1-(3-Hydroxypropyl)vinyl)-1,2-dimethylcyclopentanol
CID 500065
Jatamanin J
CID 46211183
Sarcophytol L
CID 11609191
Chokol E
CID 180085
Chokol G
CID 180087
Chokol C
CID 6442580
Teucladiol
CID 16046185
1-(2-Hydroxypropan-2-yl)-3a-methyl-6,10-bis(methylene)tetradecahydrocyclopenta[11]annulene-5,9-diol
CID 51136415
(1R,3aR,5E,9S,12aR)-3a,6-dimethyl-10-methylidene-1-propan-2-yl-3,4,7,8,9,11,12,12a-octahydro-2H-cyclopenta[11]annulene-1,9-diol
CID 162654860
(1R,2S,3R)-3-[(5Z)-7-hydroxy-6-methylhepta-1,5-dien-2-yl]-1,2-dimethylcyclopentan-1-ol
CID 13988224
Cyclonerotriol
CID 21596370

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R)-3-(5-hydroxy-6-methylhepta-1,6-dien-2-yl)-1,2-dimethylcyclopentan-1-ol?
The IUPAC name of (1R,2S,3R)-3-(5-hydroxy-6-methylhepta-1,6-dien-2-yl)-1,2-dimethylcyclopentan-1-ol (CID 11831495) is (1R,2S,3R)-3-(5-hydroxy-6-methylhepta-1,6-dien-2-yl)-1,2-dimethylcyclopentan-1-ol.
What is the SMILES notation for (1R,2S,3R)-3-(5-hydroxy-6-methylhepta-1,6-dien-2-yl)-1,2-dimethylcyclopentan-1-ol?
The canonical SMILES for (1R,2S,3R)-3-(5-hydroxy-6-methylhepta-1,6-dien-2-yl)-1,2-dimethylcyclopentan-1-ol is C=C(C)C(O)CCC(=C)[C@@H]1CC[C@@](C)(O)[C@H]1C.
What is the InChIKey of (1R,2S,3R)-3-(5-hydroxy-6-methylhepta-1,6-dien-2-yl)-1,2-dimethylcyclopentan-1-ol?
The InChIKey is WQHJZSVFGGLMGT-ZAQQFOKRSA-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+/m0/s1.
What are the key properties of (1R,2S,3R)-3-(5-hydroxy-6-methylhepta-1,6-dien-2-yl)-1,2-dimethylcyclopentan-1-ol?
(1R,2S,3R)-3-(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 (1R,2S,3R)-3-(5-hydroxy-6-methylhepta-1,6-dien-2-yl)-1,2-dimethylcyclopentan-1-ol is sourced from PubChem (CID 11831495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).