1,1-dibutoxy-4-methylcyclohexane

C15H30O2 — CID 23451590

IUPAC1,1-dibutoxy-4-methylcyclohexane
SMILESCCCCOC1(OCCCC)CCC(C)CC1
InChIInChI=1S/C15H30O2/c1-4-6-12-16-15(17-13-7-5-2)10-8-14(3)9-11-15/h14H,4-13H2,1-3H3
InChIKeyRAEBACQEOCTVOA-UHFFFAOYSA-N
MW242.40 g/mol
LogP4.53
Rot. Bonds8

About 1,1-dibutoxy-4-methylcyclohexane

1,1-dibutoxy-4-methylcyclohexane (PubChem CID 23451590) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is 1,1-dibutoxy-4-methylcyclohexane.

Molecular Properties

Compound Name1,1-dibutoxy-4-methylcyclohexane
PubChem CID23451590
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name1,1-dibutoxy-4-methylcyclohexane
SMILESCCCCOC1(OCCCC)CCC(C)CC1
InChIInChI=1S/C15H30O2/c1-4-6-12-16-15(17-13-7-5-2)10-8-14(3)9-11-15/h14H,4-13H2,1-3H3
InChIKeyRAEBACQEOCTVOA-UHFFFAOYSA-N
XLogP4.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,4-Dioxaspiro(4.5)decane-3-methanol, 8-methyl-
CID 45282
2-Methylcyclohexanone dimethyl acetal
CID 10374699
8-Methyl-1,4-dioxaspiro[4.5]decane
CID 10953772
1,1-Dimethoxy-4-methylcyclohexane
CID 11805038
1,1-Diethoxy-2-ethylhexane
CID 12504289
1,1-Dimethoxy-3-methylcyclohexane
CID 13240797
4-Ethylcyclohexanone dimethyl acetal
CID 15185624
4-tert-Butylcyclohexanone diethyl acetal
CID 137253
9-Methyl-1,5-dioxaspiro[5.5]undecane
CID 221895
2,3,8-Trimethyl-1,4-dioxaspiro[4.5]decane
CID 221908
3,3,9-Trimethyl-1,5-dioxaspiro[5.5]undecane
CID 236078
Carbonic acid, ethyl cyclohexylmethyl ester
CID 23388344

Frequently Asked Questions

What is the IUPAC name of 1,1-dibutoxy-4-methylcyclohexane?
The IUPAC name of 1,1-dibutoxy-4-methylcyclohexane (CID 23451590) is 1,1-dibutoxy-4-methylcyclohexane.
What is the SMILES notation for 1,1-dibutoxy-4-methylcyclohexane?
The canonical SMILES for 1,1-dibutoxy-4-methylcyclohexane is CCCCOC1(OCCCC)CCC(C)CC1.
What is the InChIKey of 1,1-dibutoxy-4-methylcyclohexane?
The InChIKey is RAEBACQEOCTVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2/c1-4-6-12-16-15(17-13-7-5-2)10-8-14(3)9-11-15/h14H,4-13H2,1-3H3.
What are the key properties of 1,1-dibutoxy-4-methylcyclohexane?
1,1-dibutoxy-4-methylcyclohexane has a molecular weight of 242.40 g/mol, XLogP of 4.53, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibutoxy-4-methylcyclohexane is sourced from PubChem (CID 23451590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).