1,5-dibutoxy-3-methylidenepentane

C14H28O2 — CID 12721670

IUPAC1,5-dibutoxy-3-methylidenepentane
SMILESC=C(CCOCCCC)CCOCCCC
InChIInChI=1S/C14H28O2/c1-4-6-10-15-12-8-14(3)9-13-16-11-7-5-2/h3-13H2,1-2H3
InChIKeyXPGVFVRCUUWRNV-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.96
Rot. Bonds12

About 1,5-dibutoxy-3-methylidenepentane

1,5-dibutoxy-3-methylidenepentane (PubChem CID 12721670) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 1,5-dibutoxy-3-methylidenepentane.

Molecular Properties

Compound Name1,5-dibutoxy-3-methylidenepentane
PubChem CID12721670
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name1,5-dibutoxy-3-methylidenepentane
SMILESC=C(CCOCCCC)CCOCCCC
InChIInChI=1S/C14H28O2/c1-4-6-10-15-12-8-14(3)9-13-16-11-7-5-2/h3-13H2,1-2H3
InChIKeyXPGVFVRCUUWRNV-UHFFFAOYSA-N
XLogP3.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,5-dibutoxy-3-methylidenepentane?
The IUPAC name of 1,5-dibutoxy-3-methylidenepentane (CID 12721670) is 1,5-dibutoxy-3-methylidenepentane.
What is the SMILES notation for 1,5-dibutoxy-3-methylidenepentane?
The canonical SMILES for 1,5-dibutoxy-3-methylidenepentane is C=C(CCOCCCC)CCOCCCC.
What is the InChIKey of 1,5-dibutoxy-3-methylidenepentane?
The InChIKey is XPGVFVRCUUWRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-4-6-10-15-12-8-14(3)9-13-16-11-7-5-2/h3-13H2,1-2H3.
What are the key properties of 1,5-dibutoxy-3-methylidenepentane?
1,5-dibutoxy-3-methylidenepentane has a molecular weight of 228.38 g/mol, XLogP of 3.96, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dibutoxy-3-methylidenepentane is sourced from PubChem (CID 12721670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).