(3E)-2-methylpenta-1,3-diene

C6H10 — CID 638070

IUPAC(3E)-2-methylpenta-1,3-diene
SMILESC=C(C)/C=C/C
InChIInChI=1S/C6H10/c1-4-5-6(2)3/h4-5H,2H2,1,3H3/b5-4+
InChIKeyRCJMVGJKROQDCB-SNAWJCMRSA-N
MW82.15 g/mol
LogP2.14
Rot. Bonds1

About (3E)-2-methylpenta-1,3-diene

(3E)-2-methylpenta-1,3-diene (PubChem CID 638070) has the molecular formula C6H10 and a molecular weight of 82.15 g/mol. Its IUPAC name is (3E)-2-methylpenta-1,3-diene.

Molecular Properties

Compound Name(3E)-2-methylpenta-1,3-diene
PubChem CID638070
Molecular FormulaC6H10
Molecular Weight82.15 g/mol
Exact Mass82.08
IUPAC Name(3E)-2-methylpenta-1,3-diene
SMILESC=C(C)/C=C/C
InChIInChI=1S/C6H10/c1-4-5-6(2)3/h4-5H,2H2,1,3H3/b5-4+
InChIKeyRCJMVGJKROQDCB-SNAWJCMRSA-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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Frequently Asked Questions

What is the IUPAC name of (3E)-2-methylpenta-1,3-diene?
The IUPAC name of (3E)-2-methylpenta-1,3-diene (CID 638070) is (3E)-2-methylpenta-1,3-diene.
What is the SMILES notation for (3E)-2-methylpenta-1,3-diene?
The canonical SMILES for (3E)-2-methylpenta-1,3-diene is C=C(C)/C=C/C.
What is the InChIKey of (3E)-2-methylpenta-1,3-diene?
The InChIKey is RCJMVGJKROQDCB-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H10/c1-4-5-6(2)3/h4-5H,2H2,1,3H3/b5-4+.
What are the key properties of (3E)-2-methylpenta-1,3-diene?
(3E)-2-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 (3E)-2-methylpenta-1,3-diene is sourced from PubChem (CID 638070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).