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

C24H42O — CID 67898774

IUPAC1-[[(Z)-but-2-enoxy]methyl]-4-[4-[(E)-hept-1-enyl]cyclohexyl]cyclohexane
SMILESC/C=C\COCC1CCC(C2CCC(/C=C/CCCCC)CC2)CC1
InChIInChI=1S/C24H42O/c1-3-5-7-8-9-10-21-11-15-23(16-12-21)24-17-13-22(14-18-24)20-25-19-6-4-2/h4,6,9-10,21-24H,3,5,7-8,11-20H2,1-2H3/b6-4-,10-9+
InChIKeyXRAITJGJKVNDDN-JWUZIXNGSA-N
MW346.60 g/mol
LogP7.33
Rot. Bonds10

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

1-[[(Z)-but-2-enoxy]methyl]-4-[4-[(E)-hept-1-enyl]cyclohexyl]cyclohexane (PubChem CID 67898774) has the molecular formula C24H42O and a molecular weight of 346.60 g/mol. Its IUPAC name is 1-[[(Z)-but-2-enoxy]methyl]-4-[4-[(E)-hept-1-enyl]cyclohexyl]cyclohexane.

Molecular Properties

Compound Name1-[[(Z)-but-2-enoxy]methyl]-4-[4-[(E)-hept-1-enyl]cyclohexyl]cyclohexane
PubChem CID67898774
Molecular FormulaC24H42O
Molecular Weight346.60 g/mol
Exact Mass346.32
IUPAC Name1-[[(Z)-but-2-enoxy]methyl]-4-[4-[(E)-hept-1-enyl]cyclohexyl]cyclohexane
SMILESC/C=C\COCC1CCC(C2CCC(/C=C/CCCCC)CC2)CC1
InChIInChI=1S/C24H42O/c1-3-5-7-8-9-10-21-11-15-23(16-12-21)24-17-13-22(14-18-24)20-25-19-6-4-2/h4,6,9-10,21-24H,3,5,7-8,11-20H2,1-2H3/b6-4-,10-9+
InChIKeyXRAITJGJKVNDDN-JWUZIXNGSA-N
XLogP7.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.60
LogP ≤ 57.33
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'}

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Related Compounds

1-[[(Z)-but-2-enoxy]methyl]-4-(4-butylcyclohexyl)cyclohexane
CID 67898877
1-[[(Z)-but-2-enoxy]methyl]-4-[4-[(Z)-hex-4-enyl]cyclohexyl]cyclohexane
CID 67898278
1-(but-2-enoxymethyl)-4-(4-ethenylcyclohexyl)cyclohexane
CID 56624136
1-[(E)-non-1-enyl]-4-[(E)-pent-3-enyl]cyclohexane
CID 140650646
1-non-1-enyl-4-pent-3-enylcyclohexane
CID 123569351
1-[[(Z)-but-2-enoxy]methyl]-4-[4-(methoxymethyl)cyclohexyl]cyclohexane
CID 67898633
1-(4-pentylcyclohexyl)-4-[(E)-4-[4-[(E)-prop-1-enyl]cyclohexyl]but-1-enyl]cyclohexane
CID 19070151
1-[[(Z)-but-2-enoxy]methyl]-4-[4-[(E)-hex-3-enyl]cyclohexyl]cyclohexane
CID 67898727
1-but-1-enyl-4-[4-(prop-2-enoxymethyl)cyclohexyl]cyclohexane
CID 56633881
1-(but-2-enoxymethyl)-4-(4-but-3-enylcyclohexyl)cyclohexane
CID 56628373
1-prop-1-enyl-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]but-1-enyl]cyclohexane
CID 54574523
1-[(E)-hex-1-enyl]-4-[(E)-prop-1-enyl]cyclohexane
CID 140650689

Frequently Asked Questions

What is the IUPAC name of 1-[[(Z)-but-2-enoxy]methyl]-4-[4-[(E)-hept-1-enyl]cyclohexyl]cyclohexane?
The IUPAC name of 1-[[(Z)-but-2-enoxy]methyl]-4-[4-[(E)-hept-1-enyl]cyclohexyl]cyclohexane (CID 67898774) is 1-[[(Z)-but-2-enoxy]methyl]-4-[4-[(E)-hept-1-enyl]cyclohexyl]cyclohexane.
What is the SMILES notation for 1-[[(Z)-but-2-enoxy]methyl]-4-[4-[(E)-hept-1-enyl]cyclohexyl]cyclohexane?
The canonical SMILES for 1-[[(Z)-but-2-enoxy]methyl]-4-[4-[(E)-hept-1-enyl]cyclohexyl]cyclohexane is C/C=C\COCC1CCC(C2CCC(/C=C/CCCCC)CC2)CC1.
What is the InChIKey of 1-[[(Z)-but-2-enoxy]methyl]-4-[4-[(E)-hept-1-enyl]cyclohexyl]cyclohexane?
The InChIKey is XRAITJGJKVNDDN-JWUZIXNGSA-N. The full InChI is InChI=1S/C24H42O/c1-3-5-7-8-9-10-21-11-15-23(16-12-21)24-17-13-22(14-18-24)20-25-19-6-4-2/h4,6,9-10,21-24H,3,5,7-8,11-20H2,1-2H3/b6-4-,10-9+.
What are the key properties of 1-[[(Z)-but-2-enoxy]methyl]-4-[4-[(E)-hept-1-enyl]cyclohexyl]cyclohexane?
1-[[(Z)-but-2-enoxy]methyl]-4-[4-[(E)-hept-1-enyl]cyclohexyl]cyclohexane has a molecular weight of 346.60 g/mol, XLogP of 7.33, 10 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-[(E)-hept-1-enyl]cyclohexyl]cyclohexane is sourced from PubChem (CID 67898774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).