2,2-dibutoxy-4-methylpentane

C14H30O2 — CID 15006037

IUPAC2,2-dibutoxy-4-methylpentane
SMILESCCCCOC(C)(CC(C)C)OCCCC
InChIInChI=1S/C14H30O2/c1-6-8-10-15-14(5,12-13(3)4)16-11-9-7-2/h13H,6-12H2,1-5H3
InChIKeyRDRKRMSMXVTLDO-UHFFFAOYSA-N
MW230.39 g/mol
LogP4.38
Rot. Bonds10

About 2,2-dibutoxy-4-methylpentane

2,2-dibutoxy-4-methylpentane (PubChem CID 15006037) has the molecular formula C14H30O2 and a molecular weight of 230.39 g/mol. Its IUPAC name is 2,2-dibutoxy-4-methylpentane.

Molecular Properties

Compound Name2,2-dibutoxy-4-methylpentane
PubChem CID15006037
Molecular FormulaC14H30O2
Molecular Weight230.39 g/mol
Exact Mass230.22
IUPAC Name2,2-dibutoxy-4-methylpentane
SMILESCCCCOC(C)(CC(C)C)OCCCC
InChIInChI=1S/C14H30O2/c1-6-8-10-15-14(5,12-13(3)4)16-11-9-7-2/h13H,6-12H2,1-5H3
InChIKeyRDRKRMSMXVTLDO-UHFFFAOYSA-N
XLogP4.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.39
LogP ≤ 54.38
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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Frequently Asked Questions

What is the IUPAC name of 2,2-dibutoxy-4-methylpentane?
The IUPAC name of 2,2-dibutoxy-4-methylpentane (CID 15006037) is 2,2-dibutoxy-4-methylpentane.
What is the SMILES notation for 2,2-dibutoxy-4-methylpentane?
The canonical SMILES for 2,2-dibutoxy-4-methylpentane is CCCCOC(C)(CC(C)C)OCCCC.
What is the InChIKey of 2,2-dibutoxy-4-methylpentane?
The InChIKey is RDRKRMSMXVTLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O2/c1-6-8-10-15-14(5,12-13(3)4)16-11-9-7-2/h13H,6-12H2,1-5H3.
What are the key properties of 2,2-dibutoxy-4-methylpentane?
2,2-dibutoxy-4-methylpentane has a molecular weight of 230.39 g/mol, XLogP of 4.38, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dibutoxy-4-methylpentane is sourced from PubChem (CID 15006037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).