1,4-bis(4-methylpent-1-enoxy)cyclohexane

C18H32O2 — CID 142724786

IUPAC1,4-bis(4-methylpent-1-enoxy)cyclohexane
SMILESCC(C)CC=COC1CCC(OC=CCC(C)C)CC1
InChIInChI=1S/C18H32O2/c1-15(2)7-5-13-19-17-9-11-18(12-10-17)20-14-6-8-16(3)4/h5-6,13-18H,7-12H2,1-4H3
InChIKeyVMWQAGXYUDVSGV-UHFFFAOYSA-N
MW280.45 g/mol
LogP5.45
Rot. Bonds8

About 1,4-bis(4-methylpent-1-enoxy)cyclohexane

1,4-bis(4-methylpent-1-enoxy)cyclohexane (PubChem CID 142724786) has the molecular formula C18H32O2 and a molecular weight of 280.45 g/mol. Its IUPAC name is 1,4-bis(4-methylpent-1-enoxy)cyclohexane.

Molecular Properties

Compound Name1,4-bis(4-methylpent-1-enoxy)cyclohexane
PubChem CID142724786
Molecular FormulaC18H32O2
Molecular Weight280.45 g/mol
Exact Mass280.24
IUPAC Name1,4-bis(4-methylpent-1-enoxy)cyclohexane
SMILESCC(C)CC=COC1CCC(OC=CCC(C)C)CC1
InChIInChI=1S/C18H32O2/c1-15(2)7-5-13-19-17-9-11-18(12-10-17)20-14-6-8-16(3)4/h5-6,13-18H,7-12H2,1-4H3
InChIKeyVMWQAGXYUDVSGV-UHFFFAOYSA-N
XLogP5.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.45
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 1,4-bis(4-methylpent-1-enoxy)cyclohexane 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

Ethenoxycyclohexane;2-(4-methylpent-1-enoxy)ethenylcyclohexane
CID 68596329
1,2-Bis(4-methylpent-1-enoxy)hexane
CID 78076527
1,3-Bis(4-methylpent-1-enoxy)cyclohexane
CID 142724787
3,4-dihydro-2H-pyran;ethenoxycyclohexane;ethenoxyethane;1-ethenoxy-2-methylpropane;(E)-1-ethoxybut-1-ene
CID 158900460
Butane;2-(3-methylpent-1-enoxymethyl)oxane
CID 161561768
4-Methylpent-1-enoxycyclohexane
CID 20736459
1,2-bis[(E)-4-methylpent-1-enoxy]hexane
CID 71465049

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(4-methylpent-1-enoxy)cyclohexane?
The IUPAC name of 1,4-bis(4-methylpent-1-enoxy)cyclohexane (CID 142724786) is 1,4-bis(4-methylpent-1-enoxy)cyclohexane.
What is the SMILES notation for 1,4-bis(4-methylpent-1-enoxy)cyclohexane?
The canonical SMILES for 1,4-bis(4-methylpent-1-enoxy)cyclohexane is CC(C)CC=COC1CCC(OC=CCC(C)C)CC1.
What is the InChIKey of 1,4-bis(4-methylpent-1-enoxy)cyclohexane?
The InChIKey is VMWQAGXYUDVSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O2/c1-15(2)7-5-13-19-17-9-11-18(12-10-17)20-14-6-8-16(3)4/h5-6,13-18H,7-12H2,1-4H3.
What are the key properties of 1,4-bis(4-methylpent-1-enoxy)cyclohexane?
1,4-bis(4-methylpent-1-enoxy)cyclohexane has a molecular weight of 280.45 g/mol, XLogP of 5.45, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(4-methylpent-1-enoxy)cyclohexane is sourced from PubChem (CID 142724786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).