3-butoxy-2,4-dimethylpent-1-ene

C11H22O — CID 551209

IUPAC3-butoxy-2,4-dimethylpent-1-ene
SMILESC=C(C)C(OCCCC)C(C)C
InChIInChI=1S/C11H22O/c1-6-7-8-12-11(9(2)3)10(4)5/h10-11H,2,6-8H2,1,3-5H3
InChIKeyKRVFMLTYFKWYHU-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.40
Rot. Bonds6

About 3-butoxy-2,4-dimethylpent-1-ene

3-butoxy-2,4-dimethylpent-1-ene (PubChem CID 551209) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 3-butoxy-2,4-dimethylpent-1-ene.

Molecular Properties

Compound Name3-butoxy-2,4-dimethylpent-1-ene
PubChem CID551209
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name3-butoxy-2,4-dimethylpent-1-ene
SMILESC=C(C)C(OCCCC)C(C)C
InChIInChI=1S/C11H22O/c1-6-7-8-12-11(9(2)3)10(4)5/h10-11H,2,6-8H2,1,3-5H3
InChIKeyKRVFMLTYFKWYHU-UHFFFAOYSA-N
XLogP3.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.40
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 3-butoxy-2,4-dimethylpent-1-ene?
The IUPAC name of 3-butoxy-2,4-dimethylpent-1-ene (CID 551209) is 3-butoxy-2,4-dimethylpent-1-ene.
What is the SMILES notation for 3-butoxy-2,4-dimethylpent-1-ene?
The canonical SMILES for 3-butoxy-2,4-dimethylpent-1-ene is C=C(C)C(OCCCC)C(C)C.
What is the InChIKey of 3-butoxy-2,4-dimethylpent-1-ene?
The InChIKey is KRVFMLTYFKWYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-6-7-8-12-11(9(2)3)10(4)5/h10-11H,2,6-8H2,1,3-5H3.
What are the key properties of 3-butoxy-2,4-dimethylpent-1-ene?
3-butoxy-2,4-dimethylpent-1-ene has a molecular weight of 170.30 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-2,4-dimethylpent-1-ene is sourced from PubChem (CID 551209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).