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

C14H28O — CID 70867659

IUPAC2-butoxy-4-methyl-1-propan-2-ylcyclohexane
SMILESCCCCOC1CC(C)CCC1C(C)C
InChIInChI=1S/C14H28O/c1-5-6-9-15-14-10-12(4)7-8-13(14)11(2)3/h11-14H,5-10H2,1-4H3
InChIKeyBLBULJPAPFTDKP-UHFFFAOYSA-N
MW212.38 g/mol
LogP4.26
Rot. Bonds5

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

2-butoxy-4-methyl-1-propan-2-ylcyclohexane (PubChem CID 70867659) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is 2-butoxy-4-methyl-1-propan-2-ylcyclohexane.

Molecular Properties

Compound Name2-butoxy-4-methyl-1-propan-2-ylcyclohexane
PubChem CID70867659
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name2-butoxy-4-methyl-1-propan-2-ylcyclohexane
SMILESCCCCOC1CC(C)CCC1C(C)C
InChIInChI=1S/C14H28O/c1-5-6-9-15-14-10-12(4)7-8-13(14)11(2)3/h11-14H,5-10H2,1-4H3
InChIKeyBLBULJPAPFTDKP-UHFFFAOYSA-N
XLogP4.26
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 ≤ 54.26
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 2-butoxy-4-methyl-1-propan-2-ylcyclohexane?
The IUPAC name of 2-butoxy-4-methyl-1-propan-2-ylcyclohexane (CID 70867659) is 2-butoxy-4-methyl-1-propan-2-ylcyclohexane.
What is the SMILES notation for 2-butoxy-4-methyl-1-propan-2-ylcyclohexane?
The canonical SMILES for 2-butoxy-4-methyl-1-propan-2-ylcyclohexane is CCCCOC1CC(C)CCC1C(C)C.
What is the InChIKey of 2-butoxy-4-methyl-1-propan-2-ylcyclohexane?
The InChIKey is BLBULJPAPFTDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O/c1-5-6-9-15-14-10-12(4)7-8-13(14)11(2)3/h11-14H,5-10H2,1-4H3.
What are the key properties of 2-butoxy-4-methyl-1-propan-2-ylcyclohexane?
2-butoxy-4-methyl-1-propan-2-ylcyclohexane has a molecular weight of 212.38 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-4-methyl-1-propan-2-ylcyclohexane is sourced from PubChem (CID 70867659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).