ethane;1-(2-ethylphenyl)ethenol;1-methyl-4-propan-2-ylcyclohexane

C22H38O — CID 143093806

IUPACethane;1-(2-ethylphenyl)ethenol;1-methyl-4-propan-2-ylcyclohexane
SMILESC=C(O)c1ccccc1CC.CC.CC1CCC(C(C)C)CC1
InChIInChI=1S/C10H12O.C10H20.C2H6/c1-3-9-6-4-5-7-10(9)8(2)11;1-8(2)10-6-4-9(3)5-7-10;1-2/h4-7,11H,2-3H2,1H3;8-10H,4-7H2,1-3H3;1-2H3
InChIKeyWDTPOLDCFQRWMW-UHFFFAOYSA-N
MW318.55 g/mol
LogP7.27
Rot. Bonds3

About ethane;1-(2-ethylphenyl)ethenol;1-methyl-4-propan-2-ylcyclohexane

ethane;1-(2-ethylphenyl)ethenol;1-methyl-4-propan-2-ylcyclohexane (PubChem CID 143093806) has the molecular formula C22H38O and a molecular weight of 318.55 g/mol. Its IUPAC name is ethane;1-(2-ethylphenyl)ethenol;1-methyl-4-propan-2-ylcyclohexane.

Molecular Properties

Compound Nameethane;1-(2-ethylphenyl)ethenol;1-methyl-4-propan-2-ylcyclohexane
PubChem CID143093806
Molecular FormulaC22H38O
Molecular Weight318.55 g/mol
Exact Mass318.29
IUPAC Nameethane;1-(2-ethylphenyl)ethenol;1-methyl-4-propan-2-ylcyclohexane
SMILESC=C(O)c1ccccc1CC.CC.CC1CCC(C(C)C)CC1
InChIInChI=1S/C10H12O.C10H20.C2H6/c1-3-9-6-4-5-7-10(9)8(2)11;1-8(2)10-6-4-9(3)5-7-10;1-2/h4-7,11H,2-3H2,1H3;8-10H,4-7H2,1-3H3;1-2H3
InChIKeyWDTPOLDCFQRWMW-UHFFFAOYSA-N
XLogP7.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.55
LogP ≤ 57.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

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2-ethylbenzoic acid;tungsten
CID 23518478
methane;1-methyl-4-propan-2-ylcyclohexane
CID 178082994
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heptane;1-methyl-4-propan-2-ylcyclohexane
CID 145172646
[2-(2-aminoethyl)phenyl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103495362
(4-propan-2-ylcyclohexyl)-(2-propoxyphenyl)methanone
CID 104659305
1-(4-methylcyclohexyl)-2-naphthalen-1-ylethanol
CID 63411216
1-(4-methylcyclohexyl)-2-phenylethane-1,2-diol
CID 103459354

Frequently Asked Questions

What is the IUPAC name of ethane;1-(2-ethylphenyl)ethenol;1-methyl-4-propan-2-ylcyclohexane?
The IUPAC name of ethane;1-(2-ethylphenyl)ethenol;1-methyl-4-propan-2-ylcyclohexane (CID 143093806) is ethane;1-(2-ethylphenyl)ethenol;1-methyl-4-propan-2-ylcyclohexane.
What is the SMILES notation for ethane;1-(2-ethylphenyl)ethenol;1-methyl-4-propan-2-ylcyclohexane?
The canonical SMILES for ethane;1-(2-ethylphenyl)ethenol;1-methyl-4-propan-2-ylcyclohexane is C=C(O)c1ccccc1CC.CC.CC1CCC(C(C)C)CC1.
What is the InChIKey of ethane;1-(2-ethylphenyl)ethenol;1-methyl-4-propan-2-ylcyclohexane?
The InChIKey is WDTPOLDCFQRWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O.C10H20.C2H6/c1-3-9-6-4-5-7-10(9)8(2)11;1-8(2)10-6-4-9(3)5-7-10;1-2/h4-7,11H,2-3H2,1H3;8-10H,4-7H2,1-3H3;1-2H3.
What are the key properties of ethane;1-(2-ethylphenyl)ethenol;1-methyl-4-propan-2-ylcyclohexane?
ethane;1-(2-ethylphenyl)ethenol;1-methyl-4-propan-2-ylcyclohexane has a molecular weight of 318.55 g/mol, XLogP of 7.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2-ethylphenyl)ethenol;1-methyl-4-propan-2-ylcyclohexane is sourced from PubChem (CID 143093806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).