1,1-dibutyl-4-methylcyclohexane

C15H30 — CID 147112544

IUPAC1,1-dibutyl-4-methylcyclohexane
SMILESCCCCC1(CCCC)CCC(C)CC1
InChIInChI=1S/C15H30/c1-4-6-10-15(11-7-5-2)12-8-14(3)9-13-15/h14H,4-13H2,1-3H3
InChIKeyBMUBCBIQRYEOQS-UHFFFAOYSA-N
MW210.40 g/mol
LogP5.56
Rot. Bonds6

About 1,1-dibutyl-4-methylcyclohexane

1,1-dibutyl-4-methylcyclohexane (PubChem CID 147112544) has the molecular formula C15H30 and a molecular weight of 210.40 g/mol. Its IUPAC name is 1,1-dibutyl-4-methylcyclohexane.

Molecular Properties

Compound Name1,1-dibutyl-4-methylcyclohexane
PubChem CID147112544
Molecular FormulaC15H30
Molecular Weight210.40 g/mol
Exact Mass210.23
IUPAC Name1,1-dibutyl-4-methylcyclohexane
SMILESCCCCC1(CCCC)CCC(C)CC1
InChIInChI=1S/C15H30/c1-4-6-10-15(11-7-5-2)12-8-14(3)9-13-15/h14H,4-13H2,1-3H3
InChIKeyBMUBCBIQRYEOQS-UHFFFAOYSA-N
XLogP5.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.40
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1-dibutyl-4-methylcyclohexane?
The IUPAC name of 1,1-dibutyl-4-methylcyclohexane (CID 147112544) is 1,1-dibutyl-4-methylcyclohexane.
What is the SMILES notation for 1,1-dibutyl-4-methylcyclohexane?
The canonical SMILES for 1,1-dibutyl-4-methylcyclohexane is CCCCC1(CCCC)CCC(C)CC1.
What is the InChIKey of 1,1-dibutyl-4-methylcyclohexane?
The InChIKey is BMUBCBIQRYEOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30/c1-4-6-10-15(11-7-5-2)12-8-14(3)9-13-15/h14H,4-13H2,1-3H3.
What are the key properties of 1,1-dibutyl-4-methylcyclohexane?
1,1-dibutyl-4-methylcyclohexane has a molecular weight of 210.40 g/mol, XLogP of 5.56, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibutyl-4-methylcyclohexane is sourced from PubChem (CID 147112544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).