1-[[4-(4-but-3-enylcyclohexyl)cyclohexyl]methoxy]-4-(4-butylcyclohexyl)cyclohexane

C33H58O — CID 22886257

IUPAC1-[[4-(4-but-3-enylcyclohexyl)cyclohexyl]methoxy]-4-(4-butylcyclohexyl)cyclohexane
SMILESC=CCCC1CCC(C2CCC(COC3CCC(C4CCC(CCCC)CC4)CC3)CC2)CC1
InChIInChI=1S/C33H58O/c1-3-5-7-26-9-15-29(16-10-26)31-19-13-28(14-20-31)25-34-33-23-21-32(22-24-33)30-17-11-27(12-18-30)8-6-4-2/h3,26-33H,1,4-25H2,2H3
InChIKeyVWPVHFCECTVRIP-UHFFFAOYSA-N
MW470.83 g/mol
LogP10.14
Rot. Bonds11

About 1-[[4-(4-but-3-enylcyclohexyl)cyclohexyl]methoxy]-4-(4-butylcyclohexyl)cyclohexane

1-[[4-(4-but-3-enylcyclohexyl)cyclohexyl]methoxy]-4-(4-butylcyclohexyl)cyclohexane (PubChem CID 22886257) has the molecular formula C33H58O and a molecular weight of 470.83 g/mol. Its IUPAC name is 1-[[4-(4-but-3-enylcyclohexyl)cyclohexyl]methoxy]-4-(4-butylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-[[4-(4-but-3-enylcyclohexyl)cyclohexyl]methoxy]-4-(4-butylcyclohexyl)cyclohexane
PubChem CID22886257
Molecular FormulaC33H58O
Molecular Weight470.83 g/mol
Exact Mass470.45
IUPAC Name1-[[4-(4-but-3-enylcyclohexyl)cyclohexyl]methoxy]-4-(4-butylcyclohexyl)cyclohexane
SMILESC=CCCC1CCC(C2CCC(COC3CCC(C4CCC(CCCC)CC4)CC3)CC2)CC1
InChIInChI=1S/C33H58O/c1-3-5-7-26-9-15-29(16-10-26)31-19-13-28(14-20-31)25-34-33-23-21-32(22-24-33)30-17-11-27(12-18-30)8-6-4-2/h3,26-33H,1,4-25H2,2H3
InChIKeyVWPVHFCECTVRIP-UHFFFAOYSA-N
XLogP10.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.83
LogP ≤ 510.14
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-ethenyl-4-[[4-(4-pentylcyclohexyl)cyclohexyl]methoxy]cyclohexane
CID 22886323
1-but-3-enyl-4-(4-pentoxycyclohexyl)cyclohexane
CID 19380422
1-but-3-enyl-4-[4-(4-butylcyclohexyl)butyl]cyclohexane
CID 19070157
1-but-3-enyl-4-[4-[4-(methoxymethyl)cyclohexyl]cyclohexyl]cyclohexane
CID 130414902
1-but-3-enyl-4-(4-methoxycyclohexyl)cyclohexane
CID 19380394
1-ethyl-4-[4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexyl]cyclohexane
CID 22886261
1-methyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexane
CID 22886280
1-methyl-4-[(4-pentylcyclohexyl)oxymethyl]cyclohexane
CID 20516714
1-(4-ethenylcyclohexyl)-4-[[4-(3-propylcyclopentyl)cyclohexyl]methoxy]cyclohexane
CID 58555622
1-but-3-enyl-4-(4-ethylcyclohexyl)cyclohexane
CID 53487174
1-but-3-enyl-4-(4-methylcyclohexyl)cyclohexane
CID 20683482
1-pent-4-enyl-4-prop-2-enoxycyclohexane
CID 70397512

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(4-but-3-enylcyclohexyl)cyclohexyl]methoxy]-4-(4-butylcyclohexyl)cyclohexane?
The IUPAC name of 1-[[4-(4-but-3-enylcyclohexyl)cyclohexyl]methoxy]-4-(4-butylcyclohexyl)cyclohexane (CID 22886257) is 1-[[4-(4-but-3-enylcyclohexyl)cyclohexyl]methoxy]-4-(4-butylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-[[4-(4-but-3-enylcyclohexyl)cyclohexyl]methoxy]-4-(4-butylcyclohexyl)cyclohexane?
The canonical SMILES for 1-[[4-(4-but-3-enylcyclohexyl)cyclohexyl]methoxy]-4-(4-butylcyclohexyl)cyclohexane is C=CCCC1CCC(C2CCC(COC3CCC(C4CCC(CCCC)CC4)CC3)CC2)CC1.
What is the InChIKey of 1-[[4-(4-but-3-enylcyclohexyl)cyclohexyl]methoxy]-4-(4-butylcyclohexyl)cyclohexane?
The InChIKey is VWPVHFCECTVRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H58O/c1-3-5-7-26-9-15-29(16-10-26)31-19-13-28(14-20-31)25-34-33-23-21-32(22-24-33)30-17-11-27(12-18-30)8-6-4-2/h3,26-33H,1,4-25H2,2H3.
What are the key properties of 1-[[4-(4-but-3-enylcyclohexyl)cyclohexyl]methoxy]-4-(4-butylcyclohexyl)cyclohexane?
1-[[4-(4-but-3-enylcyclohexyl)cyclohexyl]methoxy]-4-(4-butylcyclohexyl)cyclohexane has a molecular weight of 470.83 g/mol, XLogP of 10.14, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(4-but-3-enylcyclohexyl)cyclohexyl]methoxy]-4-(4-butylcyclohexyl)cyclohexane is sourced from PubChem (CID 22886257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).