1-butoxy-4-methyl-3-methylidenepentane

C11H22O — CID 156523567

IUPAC1-butoxy-4-methyl-3-methylidenepentane
SMILESC=C(CCOCCCC)C(C)C
InChIInChI=1S/C11H22O/c1-5-6-8-12-9-7-11(4)10(2)3/h10H,4-9H2,1-3H3
InChIKeyRKULBUUMCPDTAA-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.41
Rot. Bonds7

About 1-butoxy-4-methyl-3-methylidenepentane

1-butoxy-4-methyl-3-methylidenepentane (PubChem CID 156523567) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 1-butoxy-4-methyl-3-methylidenepentane.

Molecular Properties

Compound Name1-butoxy-4-methyl-3-methylidenepentane
PubChem CID156523567
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name1-butoxy-4-methyl-3-methylidenepentane
SMILESC=C(CCOCCCC)C(C)C
InChIInChI=1S/C11H22O/c1-5-6-8-12-9-7-11(4)10(2)3/h10H,4-9H2,1-3H3
InChIKeyRKULBUUMCPDTAA-UHFFFAOYSA-N
XLogP3.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-butoxy-4-methyl-3-methylidenepentane?
The IUPAC name of 1-butoxy-4-methyl-3-methylidenepentane (CID 156523567) is 1-butoxy-4-methyl-3-methylidenepentane.
What is the SMILES notation for 1-butoxy-4-methyl-3-methylidenepentane?
The canonical SMILES for 1-butoxy-4-methyl-3-methylidenepentane is C=C(CCOCCCC)C(C)C.
What is the InChIKey of 1-butoxy-4-methyl-3-methylidenepentane?
The InChIKey is RKULBUUMCPDTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-5-6-8-12-9-7-11(4)10(2)3/h10H,4-9H2,1-3H3.
What are the key properties of 1-butoxy-4-methyl-3-methylidenepentane?
1-butoxy-4-methyl-3-methylidenepentane has a molecular weight of 170.30 g/mol, XLogP of 3.41, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-4-methyl-3-methylidenepentane is sourced from PubChem (CID 156523567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).