butane;(3E)-4-methoxypenta-1,3-diene

C10H20O — CID 142879851

IUPACbutane;(3E)-4-methoxypenta-1,3-diene
SMILESC=C/C=C(\C)OC.CCCC
InChIInChI=1S/C6H10O.C4H10/c1-4-5-6(2)7-3;1-3-4-2/h4-5H,1H2,2-3H3;3-4H2,1-2H3/b6-5+;
InChIKeyQCBQNIASVCUDQL-IPZCTEOASA-N
MW156.27 g/mol
LogP3.53
Rot. Bonds3

About butane;(3E)-4-methoxypenta-1,3-diene

butane;(3E)-4-methoxypenta-1,3-diene (PubChem CID 142879851) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is butane;(3E)-4-methoxypenta-1,3-diene.

Molecular Properties

Compound Namebutane;(3E)-4-methoxypenta-1,3-diene
PubChem CID142879851
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Namebutane;(3E)-4-methoxypenta-1,3-diene
SMILESC=C/C=C(\C)OC.CCCC
InChIInChI=1S/C6H10O.C4H10/c1-4-5-6(2)7-3;1-3-4-2/h4-5H,1H2,2-3H3;3-4H2,1-2H3/b6-5+;
InChIKeyQCBQNIASVCUDQL-IPZCTEOASA-N
XLogP3.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

butane;(2E)-N-methoxypenta-2,4-dien-2-amine
CID 142050769
6-methoxyhepta-1,3,5-triene
CID 90882924
(3Z)-3-methoxyhexa-3,5-dien-2-one;propane
CID 144684932
(2Z)-1-methoxy-2-methylpenta-2,4-dien-1-amine
CID 167020251
butane;(2E)-N,2-dimethylpenta-2,4-dienamide
CID 143504833
2-penta-2,4-dien-2-yloxyethanol
CID 123362544
(3E)-4-methoxy-5-methylidenehepta-1,3-diene
CID 169163685
(3E,5E)-4-ethoxy-5-methoxyocta-1,3,5,7-tetraene
CID 143496592
4-propan-2-yloxypenta-1,3-diene
CID 123824588
(2E)-2-methylpenta-2,4-diene-1,1-diol
CID 142275116
(2E,4E)-N-ethyl-4-methoxyhepta-2,4,6-trien-2-amine
CID 129144493
(3E,5Z)-4-methoxydeca-1,3,5-triene
CID 143017983

Frequently Asked Questions

What is the IUPAC name of butane;(3E)-4-methoxypenta-1,3-diene?
The IUPAC name of butane;(3E)-4-methoxypenta-1,3-diene (CID 142879851) is butane;(3E)-4-methoxypenta-1,3-diene.
What is the SMILES notation for butane;(3E)-4-methoxypenta-1,3-diene?
The canonical SMILES for butane;(3E)-4-methoxypenta-1,3-diene is C=C/C=C(\C)OC.CCCC.
What is the InChIKey of butane;(3E)-4-methoxypenta-1,3-diene?
The InChIKey is QCBQNIASVCUDQL-IPZCTEOASA-N. The full InChI is InChI=1S/C6H10O.C4H10/c1-4-5-6(2)7-3;1-3-4-2/h4-5H,1H2,2-3H3;3-4H2,1-2H3/b6-5+;.
What are the key properties of butane;(3E)-4-methoxypenta-1,3-diene?
butane;(3E)-4-methoxypenta-1,3-diene has a molecular weight of 156.27 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;(3E)-4-methoxypenta-1,3-diene is sourced from PubChem (CID 142879851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).