1-[[(Z)-but-2-enoxy]methyl]-4-[4-[(E)-hex-3-enyl]cyclohexyl]cyclohexane

C23H40O — CID 67898727

IUPAC1-[[(Z)-but-2-enoxy]methyl]-4-[4-[(E)-hex-3-enyl]cyclohexyl]cyclohexane
SMILESC/C=C\COCC1CCC(C2CCC(CC/C=C/CC)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/h4-7,20-23H,3,8-19H2,1-2H3/b6-4-,7-5+
InChIKeyMZXYXIDWYXVUEZ-XGXWUAJZSA-N
MW332.57 g/mol
LogP6.94
Rot. Bonds9

About 1-[[(Z)-but-2-enoxy]methyl]-4-[4-[(E)-hex-3-enyl]cyclohexyl]cyclohexane

1-[[(Z)-but-2-enoxy]methyl]-4-[4-[(E)-hex-3-enyl]cyclohexyl]cyclohexane (PubChem CID 67898727) 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-[(E)-hex-3-enyl]cyclohexyl]cyclohexane.

Molecular Properties

Compound Name1-[[(Z)-but-2-enoxy]methyl]-4-[4-[(E)-hex-3-enyl]cyclohexyl]cyclohexane
PubChem CID67898727
Molecular FormulaC23H40O
Molecular Weight332.57 g/mol
Exact Mass332.31
IUPAC Name1-[[(Z)-but-2-enoxy]methyl]-4-[4-[(E)-hex-3-enyl]cyclohexyl]cyclohexane
SMILESC/C=C\COCC1CCC(C2CCC(CC/C=C/CC)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/h4-7,20-23H,3,8-19H2,1-2H3/b6-4-,7-5+
InChIKeyMZXYXIDWYXVUEZ-XGXWUAJZSA-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'}

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Related Compounds

1-(but-2-enoxymethyl)-4-(4-but-3-enylcyclohexyl)cyclohexane
CID 56628373
1-[[(Z)-but-2-enoxy]methyl]-4-[4-[(Z)-hex-4-enyl]cyclohexyl]cyclohexane
CID 67898278
1-[(E)-hex-3-enyl]-4-[4-(propoxymethyl)cyclohexyl]cyclohexane
CID 67898628
1-[[(Z)-but-2-enoxy]methyl]-4-(4-butylcyclohexyl)cyclohexane
CID 67898877
1-[[(Z)-but-2-enoxy]methyl]-4-[4-(methoxymethyl)cyclohexyl]cyclohexane
CID 67898633
1-(but-2-enoxymethyl)-4-(4-ethenylcyclohexyl)cyclohexane
CID 56624136
1-[[(Z)-but-2-enoxy]methyl]-4-[4-[(E)-hept-1-enyl]cyclohexyl]cyclohexane
CID 67898774
1-pent-3-enyl-4-propylcyclohexane
CID 72599468
4-[2-[4-(pent-2-enoxymethyl)cyclohexyl]ethyl]cyclohexane-1-carbonitrile
CID 56627723
1-ethyl-4-[4-[4-(4-pent-3-enylcyclohexyl)but-1-enyl]cyclohexyl]cyclohexane
CID 54480516
methane;1-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane
CID 145124798
2-[(E)-pent-3-enyl]-6-[4-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139866166

Frequently Asked Questions

What is the IUPAC name of 1-[[(Z)-but-2-enoxy]methyl]-4-[4-[(E)-hex-3-enyl]cyclohexyl]cyclohexane?
The IUPAC name of 1-[[(Z)-but-2-enoxy]methyl]-4-[4-[(E)-hex-3-enyl]cyclohexyl]cyclohexane (CID 67898727) is 1-[[(Z)-but-2-enoxy]methyl]-4-[4-[(E)-hex-3-enyl]cyclohexyl]cyclohexane.
What is the SMILES notation for 1-[[(Z)-but-2-enoxy]methyl]-4-[4-[(E)-hex-3-enyl]cyclohexyl]cyclohexane?
The canonical SMILES for 1-[[(Z)-but-2-enoxy]methyl]-4-[4-[(E)-hex-3-enyl]cyclohexyl]cyclohexane is C/C=C\COCC1CCC(C2CCC(CC/C=C/CC)CC2)CC1.
What is the InChIKey of 1-[[(Z)-but-2-enoxy]methyl]-4-[4-[(E)-hex-3-enyl]cyclohexyl]cyclohexane?
The InChIKey is MZXYXIDWYXVUEZ-XGXWUAJZSA-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/h4-7,20-23H,3,8-19H2,1-2H3/b6-4-,7-5+.
What are the key properties of 1-[[(Z)-but-2-enoxy]methyl]-4-[4-[(E)-hex-3-enyl]cyclohexyl]cyclohexane?
1-[[(Z)-but-2-enoxy]methyl]-4-[4-[(E)-hex-3-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-[(E)-hex-3-enyl]cyclohexyl]cyclohexane is sourced from PubChem (CID 67898727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).