1-heptan-2-yloxy-4-methylcyclohexane

C14H28O — CID 71132789

IUPAC1-heptan-2-yloxy-4-methylcyclohexane
SMILESCCCCCC(C)OC1CCC(C)CC1
InChIInChI=1S/C14H28O/c1-4-5-6-7-13(3)15-14-10-8-12(2)9-11-14/h12-14H,4-11H2,1-3H3
InChIKeyJWFDZXGPGLSBHN-UHFFFAOYSA-N
MW212.38 g/mol
LogP4.55
Rot. Bonds6

About 1-heptan-2-yloxy-4-methylcyclohexane

1-heptan-2-yloxy-4-methylcyclohexane (PubChem CID 71132789) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-heptan-2-yloxy-4-methylcyclohexane.

Molecular Properties

Compound Name1-heptan-2-yloxy-4-methylcyclohexane
PubChem CID71132789
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name1-heptan-2-yloxy-4-methylcyclohexane
SMILESCCCCCC(C)OC1CCC(C)CC1
InChIInChI=1S/C14H28O/c1-4-5-6-7-13(3)15-14-10-8-12(2)9-11-14/h12-14H,4-11H2,1-3H3
InChIKeyJWFDZXGPGLSBHN-UHFFFAOYSA-N
XLogP4.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(4-octan-2-yloxycyclohexyl)cyclohexane-1-carbonitrile
CID 57125938
1-tert-butyl-4-hexan-2-yloxycyclohexane
CID 126552494
1,2-di(heptan-2-yloxy)cyclohexane
CID 91603551
N-ethyl-2-(4-methylcyclohexyl)oxypropan-1-amine
CID 62444134
1-(4-octan-2-yloxycyclohexyl)-2-(4-pentylcyclohexyl)ethanone
CID 156679225
heptane;1-methyl-4-propan-2-ylcyclohexane
CID 145172646
2-ethoxytridecane
CID 54143367
1-butan-2-yloxy-4-pentan-2-ylcyclohexane
CID 123764512
N-[(4-methylcyclohexyl)methyl]nonan-2-amine
CID 63464065
2-octan-2-yloxy-4-propan-2-ylcyclohexan-1-ol
CID 55192847
2,2-dimethyl-3-octan-2-yloxycyclobutan-1-amine
CID 66357818
ethyl 1-(methylamino)-3-octan-2-yloxycyclopentane-1-carboxylate
CID 79646964

Frequently Asked Questions

What is the IUPAC name of 1-heptan-2-yloxy-4-methylcyclohexane?
The IUPAC name of 1-heptan-2-yloxy-4-methylcyclohexane (CID 71132789) is 1-heptan-2-yloxy-4-methylcyclohexane.
What is the SMILES notation for 1-heptan-2-yloxy-4-methylcyclohexane?
The canonical SMILES for 1-heptan-2-yloxy-4-methylcyclohexane is CCCCCC(C)OC1CCC(C)CC1.
What is the InChIKey of 1-heptan-2-yloxy-4-methylcyclohexane?
The InChIKey is JWFDZXGPGLSBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O/c1-4-5-6-7-13(3)15-14-10-8-12(2)9-11-14/h12-14H,4-11H2,1-3H3.
What are the key properties of 1-heptan-2-yloxy-4-methylcyclohexane?
1-heptan-2-yloxy-4-methylcyclohexane has a molecular weight of 212.38 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptan-2-yloxy-4-methylcyclohexane is sourced from PubChem (CID 71132789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).