1-(1-ethoxyethenyl)-4-methylcyclohex-3-en-1-ol

C11H18O2 — CID 10511644

IUPAC1-(1-ethoxyethenyl)-4-methylcyclohex-3-en-1-ol
SMILESC=C(OCC)C1(O)CC=C(C)CC1
InChIInChI=1S/C11H18O2/c1-4-13-10(3)11(12)7-5-9(2)6-8-11/h5,12H,3-4,6-8H2,1-2H3
InChIKeyLMWXXDQBHQCBGM-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.40
Rot. Bonds3

About 1-(1-ethoxyethenyl)-4-methylcyclohex-3-en-1-ol

1-(1-ethoxyethenyl)-4-methylcyclohex-3-en-1-ol (PubChem CID 10511644) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 1-(1-ethoxyethenyl)-4-methylcyclohex-3-en-1-ol.

Molecular Properties

Compound Name1-(1-ethoxyethenyl)-4-methylcyclohex-3-en-1-ol
PubChem CID10511644
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name1-(1-ethoxyethenyl)-4-methylcyclohex-3-en-1-ol
SMILESC=C(OCC)C1(O)CC=C(C)CC1
InChIInChI=1S/C11H18O2/c1-4-13-10(3)11(12)7-5-9(2)6-8-11/h5,12H,3-4,6-8H2,1-2H3
InChIKeyLMWXXDQBHQCBGM-UHFFFAOYSA-N
XLogP2.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

ethyl (3aS,8aR)-1-acetyl-8a-hydroxy-6-methyl-3,4,7,8-tetrahydroazulene-3a-carboxylate
CID 101350692
4,4-bis(ethoxymethyl)-1-methylcyclohexene
CID 118685707
diethyl 4-methylcyclohept-3-ene-1,1-dicarboxylate
CID 13423304
1-diethoxyphosphoryl-4-methylcyclohex-3-ene-1-carboxylic acid
CID 13360420
4-methyl-1-[(2R)-6-methylhept-6-en-2-yl]cyclohex-3-en-1-ol
CID 142209566
ethyl 1,3-dimethylcyclopent-3-ene-1-carboxylate
CID 158121003
(3aR,8aR)-6,8a-dimethyl-1,2,3,4,5,8-hexahydroazulen-3a-ol
CID 146180999
4-(fluoromethyl)-1,4-dimethylcyclohexene
CID 123219541
2-(4-methyl-1-prop-1-en-2-ylcyclohex-3-en-1-yl)-2-oxoacetaldehyde
CID 88813544
2-(1-hydroxy-4-methylcyclohex-3-en-1-yl)propoxy thiohypoiodite
CID 142209565
(1-acetyl-4-methylcyclohex-3-en-1-yl)methyl N-propan-2-ylcarbamate
CID 20535912
(1S,3Z,7E,11E)-4,8,12-trimethyl-1-propan-2-ylcyclotetradeca-3,7,11-trien-1-ol
CID 71312555

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxyethenyl)-4-methylcyclohex-3-en-1-ol?
The IUPAC name of 1-(1-ethoxyethenyl)-4-methylcyclohex-3-en-1-ol (CID 10511644) is 1-(1-ethoxyethenyl)-4-methylcyclohex-3-en-1-ol.
What is the SMILES notation for 1-(1-ethoxyethenyl)-4-methylcyclohex-3-en-1-ol?
The canonical SMILES for 1-(1-ethoxyethenyl)-4-methylcyclohex-3-en-1-ol is C=C(OCC)C1(O)CC=C(C)CC1.
What is the InChIKey of 1-(1-ethoxyethenyl)-4-methylcyclohex-3-en-1-ol?
The InChIKey is LMWXXDQBHQCBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-4-13-10(3)11(12)7-5-9(2)6-8-11/h5,12H,3-4,6-8H2,1-2H3.
What are the key properties of 1-(1-ethoxyethenyl)-4-methylcyclohex-3-en-1-ol?
1-(1-ethoxyethenyl)-4-methylcyclohex-3-en-1-ol has a molecular weight of 182.26 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxyethenyl)-4-methylcyclohex-3-en-1-ol is sourced from PubChem (CID 10511644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).