4-methylpenta-1,3-diene

C6H10 — CID 13555

IUPAC4-methylpenta-1,3-diene
SMILESC=CC=C(C)C
InChIInChI=1S/C6H10/c1-4-5-6(2)3/h4-5H,1H2,2-3H3
InChIKeyCJSBUWDGPXGFGA-UHFFFAOYSA-N
MW82.15 g/mol
LogP2.14
Rot. Bonds1

About 4-methylpenta-1,3-diene

4-methylpenta-1,3-diene (PubChem CID 13555) has the molecular formula C6H10 and a molecular weight of 82.15 g/mol. Its IUPAC name is 4-methylpenta-1,3-diene.

Molecular Properties

Compound Name4-methylpenta-1,3-diene
PubChem CID13555
Molecular FormulaC6H10
Molecular Weight82.15 g/mol
Exact Mass82.08
IUPAC Name4-methylpenta-1,3-diene
SMILESC=CC=C(C)C
InChIInChI=1S/C6H10/c1-4-5-6(2)3/h4-5H,1H2,2-3H3
InChIKeyCJSBUWDGPXGFGA-UHFFFAOYSA-N
XLogP2.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50082.15
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-2-butene
CID 10553
1,3-Pentadiene
CID 62204
Biisocrotyl
CID 12992
1,3-Pentadiene, (3Z)-
CID 643785
2,4-Hexadiene
CID 11600
trans,trans-2,4-Hexadiene
CID 638071
1,3,5-Hexatriene
CID 16695
(3E)-3-methylpenta-1,3-diene
CID 638069
2,4-Hexadiene, (2E,4Z)-
CID 643786
Penta-1,3-diene
CID 15301
(2Z,4Z)-2,4-Hexadiene
CID 5326156
1,3,5-Heptatriene, (E,E)-
CID 5367390

Frequently Asked Questions

What is the IUPAC name of 4-methylpenta-1,3-diene?
The IUPAC name of 4-methylpenta-1,3-diene (CID 13555) is 4-methylpenta-1,3-diene.
What is the SMILES notation for 4-methylpenta-1,3-diene?
The canonical SMILES for 4-methylpenta-1,3-diene is C=CC=C(C)C.
What is the InChIKey of 4-methylpenta-1,3-diene?
The InChIKey is CJSBUWDGPXGFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10/c1-4-5-6(2)3/h4-5H,1H2,2-3H3.
What are the key properties of 4-methylpenta-1,3-diene?
4-methylpenta-1,3-diene has a molecular weight of 82.15 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpenta-1,3-diene is sourced from PubChem (CID 13555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).