ethane;2-(4-methylcyclohex-3-en-1-yl)propan-2-ol

C12H24O — CID 145316988

IUPACethane;2-(4-methylcyclohex-3-en-1-yl)propan-2-ol
SMILESCC.CC1=CCC(C(C)(C)O)CC1
InChIInChI=1S/C10H18O.C2H6/c1-8-4-6-9(7-5-8)10(2,3)11;1-2/h4,9,11H,5-7H2,1-3H3;1-2H3
InChIKeyFSNCOYZYRBCTTA-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.53
Rot. Bonds1

About ethane;2-(4-methylcyclohex-3-en-1-yl)propan-2-ol

ethane;2-(4-methylcyclohex-3-en-1-yl)propan-2-ol (PubChem CID 145316988) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is ethane;2-(4-methylcyclohex-3-en-1-yl)propan-2-ol.

Molecular Properties

Compound Nameethane;2-(4-methylcyclohex-3-en-1-yl)propan-2-ol
PubChem CID145316988
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Nameethane;2-(4-methylcyclohex-3-en-1-yl)propan-2-ol
SMILESCC.CC1=CCC(C(C)(C)O)CC1
InChIInChI=1S/C10H18O.C2H6/c1-8-4-6-9(7-5-8)10(2,3)11;1-2/h4,9,11H,5-7H2,1-3H3;1-2H3
InChIKeyFSNCOYZYRBCTTA-UHFFFAOYSA-N
XLogP3.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.53
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

2-(4-methylcyclohex-3-en-1-yl)propan-2-ol
CID 23186359
2-[(3E,7Z)-4,8-dimethylcyclodeca-3,7-dien-1-yl]propan-2-ol
CID 101418223
2-[(1R,3E,7E,11E)-4,8,12-trimethylcyclotetradeca-3,7,11-trien-1-yl]propan-2-ol
CID 6443020
2-[4-(trideuteriomethyl)cyclohex-3-en-1-yl]propan-2-ol
CID 175869435
4-tert-butyl-1-methylcyclohexene;ethane
CID 143859971
2-[(4E,10Z)-4,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-7-yl]propan-2-ol
CID 177464486
(4Z,8R,10E)-8-(2-hydroxypropan-2-yl)-5,11-dimethylcyclotetradeca-4,10-diene-1-carboxylic acid
CID 23728900
2-(4,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-7-yl)propan-2-ol
CID 71438233
4-ethyl-2-(4-methylcyclohex-3-en-1-yl)hexan-2-ol
CID 14610889
S-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yl] ethanethioate
CID 142090009
2-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yloxy]ethanol
CID 3016990
2-(4-methylcyclohex-3-en-1-yl)propan-2-yl cyclopropanecarboxylate
CID 134301831

Frequently Asked Questions

What is the IUPAC name of ethane;2-(4-methylcyclohex-3-en-1-yl)propan-2-ol?
The IUPAC name of ethane;2-(4-methylcyclohex-3-en-1-yl)propan-2-ol (CID 145316988) is ethane;2-(4-methylcyclohex-3-en-1-yl)propan-2-ol.
What is the SMILES notation for ethane;2-(4-methylcyclohex-3-en-1-yl)propan-2-ol?
The canonical SMILES for ethane;2-(4-methylcyclohex-3-en-1-yl)propan-2-ol is CC.CC1=CCC(C(C)(C)O)CC1.
What is the InChIKey of ethane;2-(4-methylcyclohex-3-en-1-yl)propan-2-ol?
The InChIKey is FSNCOYZYRBCTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O.C2H6/c1-8-4-6-9(7-5-8)10(2,3)11;1-2/h4,9,11H,5-7H2,1-3H3;1-2H3.
What are the key properties of ethane;2-(4-methylcyclohex-3-en-1-yl)propan-2-ol?
ethane;2-(4-methylcyclohex-3-en-1-yl)propan-2-ol has a molecular weight of 184.32 g/mol, XLogP of 3.53, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(4-methylcyclohex-3-en-1-yl)propan-2-ol is sourced from PubChem (CID 145316988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).