[4-[(1R)-1,2,3-trimethylcyclopent-2-en-1-yl]cyclohexa-1,4-dien-1-yl]methanol

C15H22O — CID 70682365

IUPAC[4-[(1R)-1,2,3-trimethylcyclopent-2-en-1-yl]cyclohexa-1,4-dien-1-yl]methanol
SMILESCC1=C(C)[C@@](C)(C2=CCC(CO)=CC2)CC1
InChIInChI=1S/C15H22O/c1-11-8-9-15(3,12(11)2)14-6-4-13(10-16)5-7-14/h4,7,16H,5-6,8-10H2,1-3H3/t15-/m0/s1
InChIKeyGMYASKWNAWMMGB-HNNXBMFYSA-N
MW218.34 g/mol
LogP3.76
Rot. Bonds2

About [4-[(1R)-1,2,3-trimethylcyclopent-2-en-1-yl]cyclohexa-1,4-dien-1-yl]methanol

[4-[(1R)-1,2,3-trimethylcyclopent-2-en-1-yl]cyclohexa-1,4-dien-1-yl]methanol (PubChem CID 70682365) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is [4-[(1R)-1,2,3-trimethylcyclopent-2-en-1-yl]cyclohexa-1,4-dien-1-yl]methanol.

Molecular Properties

Compound Name[4-[(1R)-1,2,3-trimethylcyclopent-2-en-1-yl]cyclohexa-1,4-dien-1-yl]methanol
PubChem CID70682365
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name[4-[(1R)-1,2,3-trimethylcyclopent-2-en-1-yl]cyclohexa-1,4-dien-1-yl]methanol
SMILESCC1=C(C)[C@@](C)(C2=CCC(CO)=CC2)CC1
InChIInChI=1S/C15H22O/c1-11-8-9-15(3,12(11)2)14-6-4-13(10-16)5-7-14/h4,7,16H,5-6,8-10H2,1-3H3/t15-/m0/s1
InChIKeyGMYASKWNAWMMGB-HNNXBMFYSA-N
XLogP3.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [4-[(1R)-1,2,3-trimethylcyclopent-2-en-1-yl]cyclohexa-1,4-dien-1-yl]methanol with MolForge

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Related Compounds

2-Ethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-en-1-ol, (E)-
CID 6438196
Isophorol
CID 79016
(2E)-2-Methyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-2-buten-1-ol
CID 6438195
Bergamotenol
CID 5368743
3-Buten-2-ol, 3-methyl-4-[2,6,6-trimethyl-2-cyclohexen-1-yl]-
CID 5370103
2-Buten-1-ol, 2-methyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-
CID 119897
2-(3,3-Dimethylcyclohexylidene)ethanol
CID 6449789
8'-apo-beta-Carotenol
CID 5280991
(Z)-Lanceol
CID 15560069
Grandlure II
CID 5365896
(2Z)-5-[(1S,5S,6R)-2,6-dimethylbicyclo[3.1.1]hept-2-en-6-yl]-2-methylpent-2-en-1-ol
CID 73555482
1-Penten-3-ol, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
CID 109264

Frequently Asked Questions

What is the IUPAC name of [4-[(1R)-1,2,3-trimethylcyclopent-2-en-1-yl]cyclohexa-1,4-dien-1-yl]methanol?
The IUPAC name of [4-[(1R)-1,2,3-trimethylcyclopent-2-en-1-yl]cyclohexa-1,4-dien-1-yl]methanol (CID 70682365) is [4-[(1R)-1,2,3-trimethylcyclopent-2-en-1-yl]cyclohexa-1,4-dien-1-yl]methanol.
What is the SMILES notation for [4-[(1R)-1,2,3-trimethylcyclopent-2-en-1-yl]cyclohexa-1,4-dien-1-yl]methanol?
The canonical SMILES for [4-[(1R)-1,2,3-trimethylcyclopent-2-en-1-yl]cyclohexa-1,4-dien-1-yl]methanol is CC1=C(C)[C@@](C)(C2=CCC(CO)=CC2)CC1.
What is the InChIKey of [4-[(1R)-1,2,3-trimethylcyclopent-2-en-1-yl]cyclohexa-1,4-dien-1-yl]methanol?
The InChIKey is GMYASKWNAWMMGB-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H22O/c1-11-8-9-15(3,12(11)2)14-6-4-13(10-16)5-7-14/h4,7,16H,5-6,8-10H2,1-3H3/t15-/m0/s1.
What are the key properties of [4-[(1R)-1,2,3-trimethylcyclopent-2-en-1-yl]cyclohexa-1,4-dien-1-yl]methanol?
[4-[(1R)-1,2,3-trimethylcyclopent-2-en-1-yl]cyclohexa-1,4-dien-1-yl]methanol has a molecular weight of 218.34 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1R)-1,2,3-trimethylcyclopent-2-en-1-yl]cyclohexa-1,4-dien-1-yl]methanol is sourced from PubChem (CID 70682365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).