2-methyl-4-[8-[1-(4-methylcyclohexyl)ethenoxy]octyl]oxane

C23H42O2 — CID 143227401

IUPAC2-methyl-4-[8-[1-(4-methylcyclohexyl)ethenoxy]octyl]oxane
SMILESC=C(OCCCCCCCCC1CCOC(C)C1)C1CCC(C)CC1
InChIInChI=1S/C23H42O2/c1-19-11-13-23(14-12-19)21(3)25-16-9-7-5-4-6-8-10-22-15-17-24-20(2)18-22/h19-20,22-23H,3-18H2,1-2H3
InChIKeyPNHCHNNKJJWVCK-UHFFFAOYSA-N
MW350.59 g/mol
LogP6.89
Rot. Bonds11

About 2-methyl-4-[8-[1-(4-methylcyclohexyl)ethenoxy]octyl]oxane

2-methyl-4-[8-[1-(4-methylcyclohexyl)ethenoxy]octyl]oxane (PubChem CID 143227401) has the molecular formula C23H42O2 and a molecular weight of 350.59 g/mol. Its IUPAC name is 2-methyl-4-[8-[1-(4-methylcyclohexyl)ethenoxy]octyl]oxane.

Molecular Properties

Compound Name2-methyl-4-[8-[1-(4-methylcyclohexyl)ethenoxy]octyl]oxane
PubChem CID143227401
Molecular FormulaC23H42O2
Molecular Weight350.59 g/mol
Exact Mass350.32
IUPAC Name2-methyl-4-[8-[1-(4-methylcyclohexyl)ethenoxy]octyl]oxane
SMILESC=C(OCCCCCCCCC1CCOC(C)C1)C1CCC(C)CC1
InChIInChI=1S/C23H42O2/c1-19-11-13-23(14-12-19)21(3)25-16-9-7-5-4-6-8-10-22-15-17-24-20(2)18-22/h19-20,22-23H,3-18H2,1-2H3
InChIKeyPNHCHNNKJJWVCK-UHFFFAOYSA-N
XLogP6.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.59
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(4,4-Difluorobut-3-enyl)cyclohexyl]-5-pentyloxane
CID 20599684
6-fluoro-5-methyl-2-[4-(5-methyloxan-2-yl)cyclohexyl]-3,4-dihydro-2H-pyran
CID 54037797
(2S,4S,6R)-2,4-Dimethyl-8-methylene-1-oxaspiro[5.5]undecane
CID 10512034
1-Ethoxy-4-(4-pent-4-enylcyclohexyl)cyclohexane
CID 15177792
1-Octadecoxyethenylcyclohexane
CID 17888800
1-Ethenyl-4-[2-(4-hexoxycyclohexyl)ethyl]cyclohexane
CID 19380344
1-But-3-enyl-4-[2-(4-ethoxycyclohexyl)ethyl]cyclohexane
CID 19380350
1-Ethenyl-4-[2-(4-ethoxycyclohexyl)ethyl]cyclohexane
CID 19380354
1-Ethenyl-4-[2-(4-propoxycyclohexyl)ethyl]cyclohexane
CID 19380355
1-But-3-enyl-4-[2-(4-pentoxycyclohexyl)ethyl]cyclohexane
CID 19380360
1-Ethenyl-4-(4-hexoxycyclohexyl)cyclohexane
CID 19380393
1-Butoxy-4-(4-pent-4-enylcyclohexyl)cyclohexane
CID 19380407

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[8-[1-(4-methylcyclohexyl)ethenoxy]octyl]oxane?
The IUPAC name of 2-methyl-4-[8-[1-(4-methylcyclohexyl)ethenoxy]octyl]oxane (CID 143227401) is 2-methyl-4-[8-[1-(4-methylcyclohexyl)ethenoxy]octyl]oxane.
What is the SMILES notation for 2-methyl-4-[8-[1-(4-methylcyclohexyl)ethenoxy]octyl]oxane?
The canonical SMILES for 2-methyl-4-[8-[1-(4-methylcyclohexyl)ethenoxy]octyl]oxane is C=C(OCCCCCCCCC1CCOC(C)C1)C1CCC(C)CC1.
What is the InChIKey of 2-methyl-4-[8-[1-(4-methylcyclohexyl)ethenoxy]octyl]oxane?
The InChIKey is PNHCHNNKJJWVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42O2/c1-19-11-13-23(14-12-19)21(3)25-16-9-7-5-4-6-8-10-22-15-17-24-20(2)18-22/h19-20,22-23H,3-18H2,1-2H3.
What are the key properties of 2-methyl-4-[8-[1-(4-methylcyclohexyl)ethenoxy]octyl]oxane?
2-methyl-4-[8-[1-(4-methylcyclohexyl)ethenoxy]octyl]oxane has a molecular weight of 350.59 g/mol, XLogP of 6.89, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[8-[1-(4-methylcyclohexyl)ethenoxy]octyl]oxane is sourced from PubChem (CID 143227401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).