1-ethenyl-4-methyl-1-propoxycyclohexane

C12H22O — CID 144519084

IUPAC1-ethenyl-4-methyl-1-propoxycyclohexane
SMILESC=CC1(OCCC)CCC(C)CC1
InChIInChI=1S/C12H22O/c1-4-10-13-12(5-2)8-6-11(3)7-9-12/h5,11H,2,4,6-10H2,1,3H3
InChIKeyQOWDMRWIFJSDBF-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.55
Rot. Bonds4

About 1-ethenyl-4-methyl-1-propoxycyclohexane

1-ethenyl-4-methyl-1-propoxycyclohexane (PubChem CID 144519084) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-ethenyl-4-methyl-1-propoxycyclohexane.

Molecular Properties

Compound Name1-ethenyl-4-methyl-1-propoxycyclohexane
PubChem CID144519084
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name1-ethenyl-4-methyl-1-propoxycyclohexane
SMILESC=CC1(OCCC)CCC(C)CC1
InChIInChI=1S/C12H22O/c1-4-10-13-12(5-2)8-6-11(3)7-9-12/h5,11H,2,4,6-10H2,1,3H3
InChIKeyQOWDMRWIFJSDBF-UHFFFAOYSA-N
XLogP3.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(1-ethenyl-4-methylcyclohexyl)acetaldehyde
CID 130026349
1-(3-methyl-1-propoxycyclopentyl)ethanone
CID 83226730
propyl 1-(aminomethyl)-4-methylcyclohexane-1-carboxylate
CID 115442863
1-hexoxy-1-(iodomethyl)-4-methylcyclohexane
CID 114773514
(4-methyl-1-propylcyclohexyl) formate
CID 130399712
2-methyl-1-propoxycyclohexane-1-carbaldehyde
CID 165494983
2-[(4-methyl-1-propa-1,2-dienylcyclohexyl)oxymethyl]oxirane
CID 101456889
1-ethenoxy-1,4-dimethylcyclohexane
CID 89103866
1,1-dipropoxycyclodecane
CID 89439642
4-tert-butyl-1-methyl-1-propoxycyclohexane
CID 166671963
1-(1-ethenoxyethenyl)-1,4-dimethylcyclohexane
CID 67747117
bis(1,4-dimethylcyclohexane);methane;propane
CID 159253657

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-methyl-1-propoxycyclohexane?
The IUPAC name of 1-ethenyl-4-methyl-1-propoxycyclohexane (CID 144519084) is 1-ethenyl-4-methyl-1-propoxycyclohexane.
What is the SMILES notation for 1-ethenyl-4-methyl-1-propoxycyclohexane?
The canonical SMILES for 1-ethenyl-4-methyl-1-propoxycyclohexane is C=CC1(OCCC)CCC(C)CC1.
What is the InChIKey of 1-ethenyl-4-methyl-1-propoxycyclohexane?
The InChIKey is QOWDMRWIFJSDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-4-10-13-12(5-2)8-6-11(3)7-9-12/h5,11H,2,4,6-10H2,1,3H3.
What are the key properties of 1-ethenyl-4-methyl-1-propoxycyclohexane?
1-ethenyl-4-methyl-1-propoxycyclohexane has a molecular weight of 182.31 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-methyl-1-propoxycyclohexane is sourced from PubChem (CID 144519084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).