1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]prop-2-enyl]cyclohexane

C14H26O — CID 70556110

IUPAC1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]prop-2-enyl]cyclohexane
SMILESC=CC(OC(C)(C)C)C1CCC(C)CC1
InChIInChI=1S/C14H26O/c1-6-13(15-14(3,4)5)12-9-7-11(2)8-10-12/h6,11-13H,1,7-10H2,2-5H3
InChIKeyQUTANVJUPIILFN-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.18
Rot. Bonds3

About 1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]prop-2-enyl]cyclohexane

1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]prop-2-enyl]cyclohexane (PubChem CID 70556110) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]prop-2-enyl]cyclohexane.

Molecular Properties

Compound Name1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]prop-2-enyl]cyclohexane
PubChem CID70556110
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]prop-2-enyl]cyclohexane
SMILESC=CC(OC(C)(C)C)C1CCC(C)CC1
InChIInChI=1S/C14H26O/c1-6-13(15-14(3,4)5)12-9-7-11(2)8-10-12/h6,11-13H,1,7-10H2,2-5H3
InChIKeyQUTANVJUPIILFN-UHFFFAOYSA-N
XLogP4.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]prop-2-enyl]cyclohexane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]prop-2-enyl]cyclohexane?
The IUPAC name of 1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]prop-2-enyl]cyclohexane (CID 70556110) is 1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]prop-2-enyl]cyclohexane.
What is the SMILES notation for 1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]prop-2-enyl]cyclohexane?
The canonical SMILES for 1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]prop-2-enyl]cyclohexane is C=CC(OC(C)(C)C)C1CCC(C)CC1.
What is the InChIKey of 1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]prop-2-enyl]cyclohexane?
The InChIKey is QUTANVJUPIILFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-6-13(15-14(3,4)5)12-9-7-11(2)8-10-12/h6,11-13H,1,7-10H2,2-5H3.
What are the key properties of 1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]prop-2-enyl]cyclohexane?
1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]prop-2-enyl]cyclohexane has a molecular weight of 210.36 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]prop-2-enyl]cyclohexane is sourced from PubChem (CID 70556110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).