6-methylheptoxycyclohexane

C14H28O — CID 66984925

IUPAC6-methylheptoxycyclohexane
SMILESCC(C)CCCCCOC1CCCCC1
InChIInChI=1S/C14H28O/c1-13(2)9-5-4-8-12-15-14-10-6-3-7-11-14/h13-14H,3-12H2,1-2H3
InChIKeyKMMMWIFBVVBJOD-UHFFFAOYSA-N
MW212.38 g/mol
LogP4.55
Rot. Bonds7

About 6-methylheptoxycyclohexane

6-methylheptoxycyclohexane (PubChem CID 66984925) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is 6-methylheptoxycyclohexane.

Molecular Properties

Compound Name6-methylheptoxycyclohexane
PubChem CID66984925
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name6-methylheptoxycyclohexane
SMILESCC(C)CCCCCOC1CCCCC1
InChIInChI=1S/C14H28O/c1-13(2)9-5-4-8-12-15-14-10-6-3-7-11-14/h13-14H,3-12H2,1-2H3
InChIKeyKMMMWIFBVVBJOD-UHFFFAOYSA-N
XLogP4.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
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'}

Analyze 6-methylheptoxycyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-cycloheptyloxyoctoxycycloheptane
CID 173292672
[7-cyclooctyloxy-2-(4-cyclooctyloxybutyl)heptoxy]cyclooctane
CID 173259998
5-cyclohexyloxy-N-(2-methylpropyl)pentan-1-amine
CID 62443659
4-(4-methylpentoxy)azepane
CID 63904463
2-(6-methylheptoxy)oxane
CID 139685112
12-cyclohexyloxy-2-ethyldodecanal
CID 91803189
octoxycyclopentane
CID 14691467
pentadecoxycyclopentane
CID 155570194
3-(6-methylheptoxy)azetidine
CID 165499663
6-cyclohexyloxy-N-methylhexan-3-amine
CID 106800628
2-chloro-18-cyclohexyloxyoctadecanal
CID 91596992
24-methyl-1-(24-methylpentacosoxy)pentacosane
CID 57087700

Frequently Asked Questions

What is the IUPAC name of 6-methylheptoxycyclohexane?
The IUPAC name of 6-methylheptoxycyclohexane (CID 66984925) is 6-methylheptoxycyclohexane.
What is the SMILES notation for 6-methylheptoxycyclohexane?
The canonical SMILES for 6-methylheptoxycyclohexane is CC(C)CCCCCOC1CCCCC1.
What is the InChIKey of 6-methylheptoxycyclohexane?
The InChIKey is KMMMWIFBVVBJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O/c1-13(2)9-5-4-8-12-15-14-10-6-3-7-11-14/h13-14H,3-12H2,1-2H3.
What are the key properties of 6-methylheptoxycyclohexane?
6-methylheptoxycyclohexane has a molecular weight of 212.38 g/mol, XLogP of 4.55, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylheptoxycyclohexane is sourced from PubChem (CID 66984925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).