1-but-3-enyl-4-[4-[4-(methoxymethyl)cyclohexyl]cyclohexyl]cyclohexane

C24H42O — CID 130414902

IUPAC1-but-3-enyl-4-[4-[4-(methoxymethyl)cyclohexyl]cyclohexyl]cyclohexane
SMILESC=CCCC1CCC(C2CCC(C3CCC(COC)CC3)CC2)CC1
InChIInChI=1S/C24H42O/c1-3-4-5-19-6-10-21(11-7-19)23-14-16-24(17-15-23)22-12-8-20(9-13-22)18-25-2/h3,19-24H,1,4-18H2,2H3
InChIKeyCOWZBRPELIOCKP-UHFFFAOYSA-N
MW346.60 g/mol
LogP7.02
Rot. Bonds7

About 1-but-3-enyl-4-[4-[4-(methoxymethyl)cyclohexyl]cyclohexyl]cyclohexane

1-but-3-enyl-4-[4-[4-(methoxymethyl)cyclohexyl]cyclohexyl]cyclohexane (PubChem CID 130414902) has the molecular formula C24H42O and a molecular weight of 346.60 g/mol. Its IUPAC name is 1-but-3-enyl-4-[4-[4-(methoxymethyl)cyclohexyl]cyclohexyl]cyclohexane.

Molecular Properties

Compound Name1-but-3-enyl-4-[4-[4-(methoxymethyl)cyclohexyl]cyclohexyl]cyclohexane
PubChem CID130414902
Molecular FormulaC24H42O
Molecular Weight346.60 g/mol
Exact Mass346.32
IUPAC Name1-but-3-enyl-4-[4-[4-(methoxymethyl)cyclohexyl]cyclohexyl]cyclohexane
SMILESC=CCCC1CCC(C2CCC(C3CCC(COC)CC3)CC2)CC1
InChIInChI=1S/C24H42O/c1-3-4-5-19-6-10-21(11-7-19)23-14-16-24(17-15-23)22-12-8-20(9-13-22)18-25-2/h3,19-24H,1,4-18H2,2H3
InChIKeyCOWZBRPELIOCKP-UHFFFAOYSA-N
XLogP7.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.60
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-but-3-enyl-4-(4-methoxycyclohexyl)cyclohexane
CID 19380394
1-but-3-enyl-4-(4-ethylcyclohexyl)cyclohexane
CID 53487174
1-but-3-enyl-4-(4-methylcyclohexyl)cyclohexane
CID 20683482
1-(but-2-enoxymethyl)-4-(4-but-3-enylcyclohexyl)cyclohexane
CID 56628373
1-but-3-enyl-4-(4-prop-2-enylcyclohexyl)cyclohexane
CID 18341906
1-[[4-(4-but-3-enylcyclohexyl)cyclohexyl]methoxy]-4-(4-butylcyclohexyl)cyclohexane
CID 22886257
1-(methoxymethyl)-4-[2-[4-(methoxymethyl)cyclohexyl]ethyl]cyclohexane
CID 19899769
1-but-3-enyl-4-(4-iodocyclohexyl)cyclohexane
CID 89089631
1-but-3-enyl-4-(3-propylcyclopentyl)cyclohexane
CID 58555570
1-(3-fluoropropyl)-4-[4-(methoxymethyl)cyclohexyl]cyclohexane
CID 19780918
1-(ethenoxymethyl)-4-(methoxymethyl)cyclohexane
CID 22917925
1-but-3-enyl-4-[4-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]cyclohexyl]cyclohexane
CID 145065998

Frequently Asked Questions

What is the IUPAC name of 1-but-3-enyl-4-[4-[4-(methoxymethyl)cyclohexyl]cyclohexyl]cyclohexane?
The IUPAC name of 1-but-3-enyl-4-[4-[4-(methoxymethyl)cyclohexyl]cyclohexyl]cyclohexane (CID 130414902) is 1-but-3-enyl-4-[4-[4-(methoxymethyl)cyclohexyl]cyclohexyl]cyclohexane.
What is the SMILES notation for 1-but-3-enyl-4-[4-[4-(methoxymethyl)cyclohexyl]cyclohexyl]cyclohexane?
The canonical SMILES for 1-but-3-enyl-4-[4-[4-(methoxymethyl)cyclohexyl]cyclohexyl]cyclohexane is C=CCCC1CCC(C2CCC(C3CCC(COC)CC3)CC2)CC1.
What is the InChIKey of 1-but-3-enyl-4-[4-[4-(methoxymethyl)cyclohexyl]cyclohexyl]cyclohexane?
The InChIKey is COWZBRPELIOCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42O/c1-3-4-5-19-6-10-21(11-7-19)23-14-16-24(17-15-23)22-12-8-20(9-13-22)18-25-2/h3,19-24H,1,4-18H2,2H3.
What are the key properties of 1-but-3-enyl-4-[4-[4-(methoxymethyl)cyclohexyl]cyclohexyl]cyclohexane?
1-but-3-enyl-4-[4-[4-(methoxymethyl)cyclohexyl]cyclohexyl]cyclohexane has a molecular weight of 346.60 g/mol, XLogP of 7.02, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enyl-4-[4-[4-(methoxymethyl)cyclohexyl]cyclohexyl]cyclohexane is sourced from PubChem (CID 130414902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).