4-(dimethoxymethyl)-1-(4-methylpentyl)cyclohexene

C15H28O2 — CID 3019334

IUPAC4-(dimethoxymethyl)-1-(4-methylpentyl)cyclohexene
SMILESCOC(OC)C1CC=C(CCCC(C)C)CC1
InChIInChI=1S/C15H28O2/c1-12(2)6-5-7-13-8-10-14(11-9-13)15(16-3)17-4/h8,12,14-15H,5-7,9-11H2,1-4H3
InChIKeyWMFBFSHKNMJVFB-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.16
Rot. Bonds7

About 4-(dimethoxymethyl)-1-(4-methylpentyl)cyclohexene

4-(dimethoxymethyl)-1-(4-methylpentyl)cyclohexene (PubChem CID 3019334) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 4-(dimethoxymethyl)-1-(4-methylpentyl)cyclohexene.

Molecular Properties

Compound Name4-(dimethoxymethyl)-1-(4-methylpentyl)cyclohexene
PubChem CID3019334
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name4-(dimethoxymethyl)-1-(4-methylpentyl)cyclohexene
SMILESCOC(OC)C1CC=C(CCCC(C)C)CC1
InChIInChI=1S/C15H28O2/c1-12(2)6-5-7-13-8-10-14(11-9-13)15(16-3)17-4/h8,12,14-15H,5-7,9-11H2,1-4H3
InChIKeyWMFBFSHKNMJVFB-UHFFFAOYSA-N
XLogP4.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,1-Diethoxy-3,7-dimethyloct-6-ene
CID 3018210
2-Octene, 8-(1-ethoxyethoxy)-2,6-dimethyl-
CID 111452
2-Octene, 8-(1-methoxyethoxy)-2,6-dimethyl-
CID 107057
2-Octene, 8,8-dimethoxy-2,6-dimethyl-
CID 102507
Cyclohexene, 4-(dimethoxymethyl)-
CID 111013
Isotridecane, 1,1'-[(3,7-dimethyl-6-octen-1-ylidene)bis(oxy)]bis-
CID 106157
(R)-8,8-Dimethoxy-2,6-dimethyl-oct-2-ene
CID 7009067
1-Undecene, 11,11-bis((3,7-dimethyl-6-octenyl)oxy)-
CID 105589
Cyclohexene, 4-(dimethoxymethyl)-1,3-dimethyl-
CID 21156084
Cyclohexene, 4-(dimethoxymethyl)-1-(4-methyl-3-pentenyl)-
CID 3016657
Cyclohexene, 5-(dimethoxymethyl)-1-(4-methyl-3-pentenyl)-
CID 3016658
4-(Diethoxymethyl)-1,2-dimethylcyclohexene
CID 11390223

Frequently Asked Questions

What is the IUPAC name of 4-(dimethoxymethyl)-1-(4-methylpentyl)cyclohexene?
The IUPAC name of 4-(dimethoxymethyl)-1-(4-methylpentyl)cyclohexene (CID 3019334) is 4-(dimethoxymethyl)-1-(4-methylpentyl)cyclohexene.
What is the SMILES notation for 4-(dimethoxymethyl)-1-(4-methylpentyl)cyclohexene?
The canonical SMILES for 4-(dimethoxymethyl)-1-(4-methylpentyl)cyclohexene is COC(OC)C1CC=C(CCCC(C)C)CC1.
What is the InChIKey of 4-(dimethoxymethyl)-1-(4-methylpentyl)cyclohexene?
The InChIKey is WMFBFSHKNMJVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-12(2)6-5-7-13-8-10-14(11-9-13)15(16-3)17-4/h8,12,14-15H,5-7,9-11H2,1-4H3.
What are the key properties of 4-(dimethoxymethyl)-1-(4-methylpentyl)cyclohexene?
4-(dimethoxymethyl)-1-(4-methylpentyl)cyclohexene has a molecular weight of 240.39 g/mol, XLogP of 4.16, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethoxymethyl)-1-(4-methylpentyl)cyclohexene is sourced from PubChem (CID 3019334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).