1-(3-methylheptoxy)cyclohexene

C14H26O — CID 139803820

IUPAC1-(3-methylheptoxy)cyclohexene
SMILESCCCCC(C)CCOC1=CCCCC1
InChIInChI=1S/C14H26O/c1-3-4-8-13(2)11-12-15-14-9-6-5-7-10-14/h9,13H,3-8,10-12H2,1-2H3
InChIKeyFGNXCZFAMYRHAV-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.68
Rot. Bonds7

About 1-(3-methylheptoxy)cyclohexene

1-(3-methylheptoxy)cyclohexene (PubChem CID 139803820) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-(3-methylheptoxy)cyclohexene.

Molecular Properties

Compound Name1-(3-methylheptoxy)cyclohexene
PubChem CID139803820
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name1-(3-methylheptoxy)cyclohexene
SMILESCCCCC(C)CCOC1=CCCCC1
InChIInChI=1S/C14H26O/c1-3-4-8-13(2)11-12-15-14-9-6-5-7-10-14/h9,13H,3-8,10-12H2,1-2H3
InChIKeyFGNXCZFAMYRHAV-UHFFFAOYSA-N
XLogP4.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(3-methylheptoxy)cyclohexene 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

Cyclohexene, 4-(1-ethoxy-1-methylethyl)-1-methyl-
CID 117385
2,6-Diethyl-3,5-dimethyl-3,4-dihydro-2H-pyran
CID 567148
(2s,3s)-2,6-Diethyl-3,5-dimethyl-3,4-dihydro-2h-pyran
CID 91701224
1-Methyl-4-(2-propoxypropan-2-yl)cyclohex-1-ene
CID 12814399
4-(1-Methoxyethenyl)-1,2-dimethylcyclohexene
CID 13208451
[(Z)-1-deuterio-3-methylpent-1-enoxy]methylcyclohexane
CID 14970181
(4aR,7aS)-2-butyl-4,4a,5,6,7,7a-hexahydrocyclopenta[b]pyran
CID 134981525
1-Methoxy-3-oct-1-en-2-ylcyclohexene
CID 176427824
2-Methoxy-3-methylcyclohexene
CID 519381
Hexahydro-2h-chromene
CID 11126332
Hexahydrobenzofuran
CID 67237882
1-Ethoxy-3,3,5-trimethylcyclohex-1-ene
CID 11030239

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylheptoxy)cyclohexene?
The IUPAC name of 1-(3-methylheptoxy)cyclohexene (CID 139803820) is 1-(3-methylheptoxy)cyclohexene.
What is the SMILES notation for 1-(3-methylheptoxy)cyclohexene?
The canonical SMILES for 1-(3-methylheptoxy)cyclohexene is CCCCC(C)CCOC1=CCCCC1.
What is the InChIKey of 1-(3-methylheptoxy)cyclohexene?
The InChIKey is FGNXCZFAMYRHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-3-4-8-13(2)11-12-15-14-9-6-5-7-10-14/h9,13H,3-8,10-12H2,1-2H3.
What are the key properties of 1-(3-methylheptoxy)cyclohexene?
1-(3-methylheptoxy)cyclohexene has a molecular weight of 210.36 g/mol, XLogP of 4.68, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylheptoxy)cyclohexene is sourced from PubChem (CID 139803820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).