1-(4-methylheptoxy)cyclohexene

C14H26O — CID 139803600

IUPAC1-(4-methylheptoxy)cyclohexene
SMILESCCCC(C)CCCOC1=CCCCC1
InChIInChI=1S/C14H26O/c1-3-8-13(2)9-7-12-15-14-10-5-4-6-11-14/h10,13H,3-9,11-12H2,1-2H3
InChIKeyZLPBFEJGAYVXJQ-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.68
Rot. Bonds7

About 1-(4-methylheptoxy)cyclohexene

1-(4-methylheptoxy)cyclohexene (PubChem CID 139803600) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-(4-methylheptoxy)cyclohexene.

Molecular Properties

Compound Name1-(4-methylheptoxy)cyclohexene
PubChem CID139803600
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name1-(4-methylheptoxy)cyclohexene
SMILESCCCC(C)CCCOC1=CCCCC1
InChIInChI=1S/C14H26O/c1-3-8-13(2)9-7-12-15-14-10-5-4-6-11-14/h10,13H,3-9,11-12H2,1-2H3
InChIKeyZLPBFEJGAYVXJQ-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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylheptoxy)cyclohexene?
The IUPAC name of 1-(4-methylheptoxy)cyclohexene (CID 139803600) is 1-(4-methylheptoxy)cyclohexene.
What is the SMILES notation for 1-(4-methylheptoxy)cyclohexene?
The canonical SMILES for 1-(4-methylheptoxy)cyclohexene is CCCC(C)CCCOC1=CCCCC1.
What is the InChIKey of 1-(4-methylheptoxy)cyclohexene?
The InChIKey is ZLPBFEJGAYVXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-3-8-13(2)9-7-12-15-14-10-5-4-6-11-14/h10,13H,3-9,11-12H2,1-2H3.
What are the key properties of 1-(4-methylheptoxy)cyclohexene?
1-(4-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-(4-methylheptoxy)cyclohexene is sourced from PubChem (CID 139803600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).