1-butoxy-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane

C23H42O — CID 71106589

IUPAC1-butoxy-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane
SMILESCCCCOC1CCC(C2CCC(C3CCC(C)CC3)CC2)CC1
InChIInChI=1S/C23H42O/c1-3-4-17-24-23-15-13-22(14-16-23)21-11-9-20(10-12-21)19-7-5-18(2)6-8-19/h18-23H,3-17H2,1-2H3
InChIKeyAQBQKPDTUBCMDX-UHFFFAOYSA-N
MW334.59 g/mol
LogP6.99
Rot. Bonds6

About 1-butoxy-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane

1-butoxy-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane (PubChem CID 71106589) has the molecular formula C23H42O and a molecular weight of 334.59 g/mol. Its IUPAC name is 1-butoxy-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane.

Molecular Properties

Compound Name1-butoxy-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane
PubChem CID71106589
Molecular FormulaC23H42O
Molecular Weight334.59 g/mol
Exact Mass334.32
IUPAC Name1-butoxy-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane
SMILESCCCCOC1CCC(C2CCC(C3CCC(C)CC3)CC2)CC1
InChIInChI=1S/C23H42O/c1-3-4-17-24-23-15-13-22(14-16-23)21-11-9-20(10-12-21)19-7-5-18(2)6-8-19/h18-23H,3-17H2,1-2H3
InChIKeyAQBQKPDTUBCMDX-UHFFFAOYSA-N
XLogP6.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.59
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

heptoxycyclopropane
CID 54099544
1-ethyl-4-(4-octoxycyclohexyl)cyclohexane
CID 18605379
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butoxycyclobutane
CID 54057236
1-methyl-4-[6-[4-[4-[4-(4-methylcyclohexyl)cyclohexyl]oxybutoxy]cyclohexyl]oxyhexoxy]benzene
CID 59265557
1-but-2-enyl-4-(4-butoxycyclohexyl)cyclohexane
CID 57032891
1-butoxy-4-[4-[4-[(E)-2-(4-ethenylcyclohexyl)ethenyl]cyclohexyl]cyclohexyl]cyclohexane
CID 130414711
1-butoxy-4-(4-hex-1-enylcyclohexyl)cyclohexane
CID 57181103
1-ethoxy-4-hexoxycyclohexane
CID 147022477
1-(4-ethylhexoxy)-4-methylcyclohexane
CID 123446750
4-(4-octoxycyclohexyl)cyclohexane-1-carbonitrile
CID 57058865
1-but-3-enoxy-4-(4-heptoxycyclohexyl)cyclohexane
CID 59498876

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane?
The IUPAC name of 1-butoxy-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane (CID 71106589) is 1-butoxy-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane.
What is the SMILES notation for 1-butoxy-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane?
The canonical SMILES for 1-butoxy-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane is CCCCOC1CCC(C2CCC(C3CCC(C)CC3)CC2)CC1.
What is the InChIKey of 1-butoxy-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane?
The InChIKey is AQBQKPDTUBCMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42O/c1-3-4-17-24-23-15-13-22(14-16-23)21-11-9-20(10-12-21)19-7-5-18(2)6-8-19/h18-23H,3-17H2,1-2H3.
What are the key properties of 1-butoxy-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane?
1-butoxy-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane has a molecular weight of 334.59 g/mol, XLogP of 6.99, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane is sourced from PubChem (CID 71106589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).