4-[3-(methoxymethyl)heptyl]-1-methylcyclohexene

C16H30O — CID 174197232

IUPAC4-[3-(methoxymethyl)heptyl]-1-methylcyclohexene
SMILESCCCCC(CCC1CC=C(C)CC1)COC
InChIInChI=1S/C16H30O/c1-4-5-6-16(13-17-3)12-11-15-9-7-14(2)8-10-15/h7,15-16H,4-6,8-13H2,1-3H3
InChIKeyIAVIWKHKTHSDSC-UHFFFAOYSA-N
MW238.41 g/mol
LogP4.97
Rot. Bonds8

About 4-[3-(methoxymethyl)heptyl]-1-methylcyclohexene

4-[3-(methoxymethyl)heptyl]-1-methylcyclohexene (PubChem CID 174197232) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is 4-[3-(methoxymethyl)heptyl]-1-methylcyclohexene.

Molecular Properties

Compound Name4-[3-(methoxymethyl)heptyl]-1-methylcyclohexene
PubChem CID174197232
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Name4-[3-(methoxymethyl)heptyl]-1-methylcyclohexene
SMILESCCCCC(CCC1CC=C(C)CC1)COC
InChIInChI=1S/C16H30O/c1-4-5-6-16(13-17-3)12-11-15-9-7-14(2)8-10-15/h7,15-16H,4-6,8-13H2,1-3H3
InChIKeyIAVIWKHKTHSDSC-UHFFFAOYSA-N
XLogP4.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.41
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(methoxymethyl)heptyl]-1-methylcyclohexene?
The IUPAC name of 4-[3-(methoxymethyl)heptyl]-1-methylcyclohexene (CID 174197232) is 4-[3-(methoxymethyl)heptyl]-1-methylcyclohexene.
What is the SMILES notation for 4-[3-(methoxymethyl)heptyl]-1-methylcyclohexene?
The canonical SMILES for 4-[3-(methoxymethyl)heptyl]-1-methylcyclohexene is CCCCC(CCC1CC=C(C)CC1)COC.
What is the InChIKey of 4-[3-(methoxymethyl)heptyl]-1-methylcyclohexene?
The InChIKey is IAVIWKHKTHSDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O/c1-4-5-6-16(13-17-3)12-11-15-9-7-14(2)8-10-15/h7,15-16H,4-6,8-13H2,1-3H3.
What are the key properties of 4-[3-(methoxymethyl)heptyl]-1-methylcyclohexene?
4-[3-(methoxymethyl)heptyl]-1-methylcyclohexene has a molecular weight of 238.41 g/mol, XLogP of 4.97, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methoxymethyl)heptyl]-1-methylcyclohexene is sourced from PubChem (CID 174197232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).