1-[[(Z)-but-2-enoxy]methyl]-4-[4-[(Z)-hex-4-enyl]cyclohexyl]cyclohexane

C23H40O — CID 67898278

IUPAC1-[[(Z)-but-2-enoxy]methyl]-4-[4-[(Z)-hex-4-enyl]cyclohexyl]cyclohexane
SMILESC/C=C\CCCC1CCC(C2CCC(COC/C=C\C)CC2)CC1
InChIInChI=1S/C23H40O/c1-3-5-7-8-9-20-10-14-22(15-11-20)23-16-12-21(13-17-23)19-24-18-6-4-2/h3-6,20-23H,7-19H2,1-2H3/b5-3-,6-4-
InChIKeyCURQIOOMGQFIKV-GLIMQPGKSA-N
MW332.57 g/mol
LogP6.94
Rot. Bonds9

About 1-[[(Z)-but-2-enoxy]methyl]-4-[4-[(Z)-hex-4-enyl]cyclohexyl]cyclohexane

1-[[(Z)-but-2-enoxy]methyl]-4-[4-[(Z)-hex-4-enyl]cyclohexyl]cyclohexane (PubChem CID 67898278) has the molecular formula C23H40O and a molecular weight of 332.57 g/mol. Its IUPAC name is 1-[[(Z)-but-2-enoxy]methyl]-4-[4-[(Z)-hex-4-enyl]cyclohexyl]cyclohexane.

Molecular Properties

Compound Name1-[[(Z)-but-2-enoxy]methyl]-4-[4-[(Z)-hex-4-enyl]cyclohexyl]cyclohexane
PubChem CID67898278
Molecular FormulaC23H40O
Molecular Weight332.57 g/mol
Exact Mass332.31
IUPAC Name1-[[(Z)-but-2-enoxy]methyl]-4-[4-[(Z)-hex-4-enyl]cyclohexyl]cyclohexane
SMILESC/C=C\CCCC1CCC(C2CCC(COC/C=C\C)CC2)CC1
InChIInChI=1S/C23H40O/c1-3-5-7-8-9-20-10-14-22(15-11-20)23-16-12-21(13-17-23)19-24-18-6-4-2/h3-6,20-23H,7-19H2,1-2H3/b5-3-,6-4-
InChIKeyCURQIOOMGQFIKV-GLIMQPGKSA-N
XLogP6.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.57
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[[(Z)-but-2-enoxy]methyl]-4-[4-[(Z)-hex-4-enyl]cyclohexyl]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

1-[[(Z)-but-2-enoxy]methyl]-4-(4-butylcyclohexyl)cyclohexane
CID 67898877
1-(but-2-enoxymethyl)-4-(4-but-3-enylcyclohexyl)cyclohexane
CID 56628373
1-[[(Z)-but-2-enoxy]methyl]-4-[4-[(E)-hex-3-enyl]cyclohexyl]cyclohexane
CID 67898727
1-[[(Z)-but-2-enoxy]methyl]-4-[4-(methoxymethyl)cyclohexyl]cyclohexane
CID 67898633
1-[[(Z)-but-2-enoxy]methyl]-4-[4-[(E)-hept-1-enyl]cyclohexyl]cyclohexane
CID 67898774
1-(but-2-enoxymethyl)-4-(4-ethenylcyclohexyl)cyclohexane
CID 56624136
1-[(Z)-hex-4-enyl]-4-[2-(4-methoxycyclohexyl)ethyl]cyclohexane
CID 67806063
methane;1-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane
CID 145124798
4-hept-5-enoxybutylcyclohexane
CID 57300842
1-(ethoxymethyl)-4-(4-propylcyclohexyl)cyclohexane
CID 19850412
3-(but-2-enoxymethyl)oxetane
CID 68770280
1-pent-3-enyl-4-(4-prop-1-enylcyclohexyl)cyclohexane
CID 54021593

Frequently Asked Questions

What is the IUPAC name of 1-[[(Z)-but-2-enoxy]methyl]-4-[4-[(Z)-hex-4-enyl]cyclohexyl]cyclohexane?
The IUPAC name of 1-[[(Z)-but-2-enoxy]methyl]-4-[4-[(Z)-hex-4-enyl]cyclohexyl]cyclohexane (CID 67898278) is 1-[[(Z)-but-2-enoxy]methyl]-4-[4-[(Z)-hex-4-enyl]cyclohexyl]cyclohexane.
What is the SMILES notation for 1-[[(Z)-but-2-enoxy]methyl]-4-[4-[(Z)-hex-4-enyl]cyclohexyl]cyclohexane?
The canonical SMILES for 1-[[(Z)-but-2-enoxy]methyl]-4-[4-[(Z)-hex-4-enyl]cyclohexyl]cyclohexane is C/C=C\CCCC1CCC(C2CCC(COC/C=C\C)CC2)CC1.
What is the InChIKey of 1-[[(Z)-but-2-enoxy]methyl]-4-[4-[(Z)-hex-4-enyl]cyclohexyl]cyclohexane?
The InChIKey is CURQIOOMGQFIKV-GLIMQPGKSA-N. The full InChI is InChI=1S/C23H40O/c1-3-5-7-8-9-20-10-14-22(15-11-20)23-16-12-21(13-17-23)19-24-18-6-4-2/h3-6,20-23H,7-19H2,1-2H3/b5-3-,6-4-.
What are the key properties of 1-[[(Z)-but-2-enoxy]methyl]-4-[4-[(Z)-hex-4-enyl]cyclohexyl]cyclohexane?
1-[[(Z)-but-2-enoxy]methyl]-4-[4-[(Z)-hex-4-enyl]cyclohexyl]cyclohexane has a molecular weight of 332.57 g/mol, XLogP of 6.94, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(Z)-but-2-enoxy]methyl]-4-[4-[(Z)-hex-4-enyl]cyclohexyl]cyclohexane is sourced from PubChem (CID 67898278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).