1-butoxy-1-methyl-4-propan-2-ylcyclohexane

C14H28O — CID 135153200

IUPAC1-butoxy-1-methyl-4-propan-2-ylcyclohexane
SMILESCCCCOC1(C)CCC(C(C)C)CC1
InChIInChI=1S/C14H28O/c1-5-6-11-15-14(4)9-7-13(8-10-14)12(2)3/h12-13H,5-11H2,1-4H3
InChIKeyHRDMHPLQXJMSGS-UHFFFAOYSA-N
MW212.38 g/mol
LogP4.41
Rot. Bonds5

About 1-butoxy-1-methyl-4-propan-2-ylcyclohexane

1-butoxy-1-methyl-4-propan-2-ylcyclohexane (PubChem CID 135153200) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-butoxy-1-methyl-4-propan-2-ylcyclohexane.

Molecular Properties

Compound Name1-butoxy-1-methyl-4-propan-2-ylcyclohexane
PubChem CID135153200
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name1-butoxy-1-methyl-4-propan-2-ylcyclohexane
SMILESCCCCOC1(C)CCC(C(C)C)CC1
InChIInChI=1S/C14H28O/c1-5-6-11-15-14(4)9-7-13(8-10-14)12(2)3/h12-13H,5-11H2,1-4H3
InChIKeyHRDMHPLQXJMSGS-UHFFFAOYSA-N
XLogP4.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.41
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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Frequently Asked Questions

What is the IUPAC name of 1-butoxy-1-methyl-4-propan-2-ylcyclohexane?
The IUPAC name of 1-butoxy-1-methyl-4-propan-2-ylcyclohexane (CID 135153200) is 1-butoxy-1-methyl-4-propan-2-ylcyclohexane.
What is the SMILES notation for 1-butoxy-1-methyl-4-propan-2-ylcyclohexane?
The canonical SMILES for 1-butoxy-1-methyl-4-propan-2-ylcyclohexane is CCCCOC1(C)CCC(C(C)C)CC1.
What is the InChIKey of 1-butoxy-1-methyl-4-propan-2-ylcyclohexane?
The InChIKey is HRDMHPLQXJMSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O/c1-5-6-11-15-14(4)9-7-13(8-10-14)12(2)3/h12-13H,5-11H2,1-4H3.
What are the key properties of 1-butoxy-1-methyl-4-propan-2-ylcyclohexane?
1-butoxy-1-methyl-4-propan-2-ylcyclohexane has a molecular weight of 212.38 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-1-methyl-4-propan-2-ylcyclohexane is sourced from PubChem (CID 135153200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).