1-cyclohexylethenol;ethenamine;ethenol;1-ethenyl-1-methylcyclopropane;methane

C23H46N2O3 — CID 159214533

IUPAC1-cyclohexylethenol;ethenamine;ethenol;1-ethenyl-1-methylcyclopropane;methane
SMILESC.C=C(O)C1CCCCC1.C=CC1(C)CC1.C=CN.C=CN.C=CO.C=CO
InChIInChI=1S/C8H14O.C6H10.2C2H5N.2C2H4O.CH4/c1-7(9)8-5-3-2-4-6-8;1-3-6(2)4-5-6;4*1-2-3;/h8-9H,1-6H2;3H,1,4-5H2,2H3;2*2H,1,3H2;2*2-3H,1H2;1H4
InChIKeyKQXAJKWOAVPUMC-UHFFFAOYSA-N
MW398.63 g/mol
LogP6.80
Rot. Bonds2

About 1-cyclohexylethenol;ethenamine;ethenol;1-ethenyl-1-methylcyclopropane;methane

1-cyclohexylethenol;ethenamine;ethenol;1-ethenyl-1-methylcyclopropane;methane (PubChem CID 159214533) has the molecular formula C23H46N2O3 and a molecular weight of 398.63 g/mol. Its IUPAC name is 1-cyclohexylethenol;ethenamine;ethenol;1-ethenyl-1-methylcyclopropane;methane.

Molecular Properties

Compound Name1-cyclohexylethenol;ethenamine;ethenol;1-ethenyl-1-methylcyclopropane;methane
PubChem CID159214533
Molecular FormulaC23H46N2O3
Molecular Weight398.63 g/mol
Exact Mass398.35
IUPAC Name1-cyclohexylethenol;ethenamine;ethenol;1-ethenyl-1-methylcyclopropane;methane
SMILESC.C=C(O)C1CCCCC1.C=CC1(C)CC1.C=CN.C=CN.C=CO.C=CO
InChIInChI=1S/C8H14O.C6H10.2C2H5N.2C2H4O.CH4/c1-7(9)8-5-3-2-4-6-8;1-3-6(2)4-5-6;4*1-2-3;/h8-9H,1-6H2;3H,1,4-5H2,2H3;2*2H,1,3H2;2*2-3H,1H2;1H4
InChIKeyKQXAJKWOAVPUMC-UHFFFAOYSA-N
XLogP6.80
TPSA112.73 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.63
LogP ≤ 56.80
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-ethenyl-4-methyl-1-prop-1-en-2-ylcyclohexane-1-carboxylic acid
CID 143093730
3-ethenyl-3-methylcyclobutane-1-carboxamide
CID 143058986
cycloheptyl-(1-methylcyclopropyl)methanone
CID 82931087
cyclohexane;ethenol
CID 168894099
cis-(1R,2R)-2-amino-1-ethenylcyclohexan-1-ol
CID 14219057
(2-amino-1-methylcyclopentyl)-cyclohexylmethanone
CID 116607149
4-ethenyl-2,4-dimethylcyclohexan-1-ol
CID 58534503
[(3R,5aR,8R,10aS,10bR)-8-ethenyl-3,8,10a-trimethyl-2,5,5a,6,7,9,10,10b-octahydro-1H-cyclohepta[e]inden-3-yl]methanol
CID 101449335
1-(1-cyclopropylethenyl)-1-methylcyclohexane
CID 121011402
4-methylpenta-1,3-dien-2-ylcyclohexane
CID 145299329
3-methylbuta-1,3-dien-2-ylcyclohexane
CID 123355728
cyclohexylazanide;ethenamine;yttrium
CID 164568396

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylethenol;ethenamine;ethenol;1-ethenyl-1-methylcyclopropane;methane?
The IUPAC name of 1-cyclohexylethenol;ethenamine;ethenol;1-ethenyl-1-methylcyclopropane;methane (CID 159214533) is 1-cyclohexylethenol;ethenamine;ethenol;1-ethenyl-1-methylcyclopropane;methane.
What is the SMILES notation for 1-cyclohexylethenol;ethenamine;ethenol;1-ethenyl-1-methylcyclopropane;methane?
The canonical SMILES for 1-cyclohexylethenol;ethenamine;ethenol;1-ethenyl-1-methylcyclopropane;methane is C.C=C(O)C1CCCCC1.C=CC1(C)CC1.C=CN.C=CN.C=CO.C=CO.
What is the InChIKey of 1-cyclohexylethenol;ethenamine;ethenol;1-ethenyl-1-methylcyclopropane;methane?
The InChIKey is KQXAJKWOAVPUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O.C6H10.2C2H5N.2C2H4O.CH4/c1-7(9)8-5-3-2-4-6-8;1-3-6(2)4-5-6;4*1-2-3;/h8-9H,1-6H2;3H,1,4-5H2,2H3;2*2H,1,3H2;2*2-3H,1H2;1H4.
What are the key properties of 1-cyclohexylethenol;ethenamine;ethenol;1-ethenyl-1-methylcyclopropane;methane?
1-cyclohexylethenol;ethenamine;ethenol;1-ethenyl-1-methylcyclopropane;methane has a molecular weight of 398.63 g/mol, XLogP of 6.80, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylethenol;ethenamine;ethenol;1-ethenyl-1-methylcyclopropane;methane is sourced from PubChem (CID 159214533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).