(3Z)-3-methylpenta-1,3-diene

C6H10 — CID 5365694

IUPAC(3Z)-3-methylpenta-1,3-diene
SMILESC=C/C(C)=C\C
InChIInChI=1S/C6H10/c1-4-6(3)5-2/h4-5H,1H2,2-3H3/b6-5-
InChIKeyBOGRNZQRTNVZCZ-WAYWQWQTSA-N
MW82.15 g/mol
LogP2.14
Rot. Bonds1

About (3Z)-3-methylpenta-1,3-diene

(3Z)-3-methylpenta-1,3-diene (PubChem CID 5365694) has the molecular formula C6H10 and a molecular weight of 82.15 g/mol. Its IUPAC name is (3Z)-3-methylpenta-1,3-diene.

Molecular Properties

Compound Name(3Z)-3-methylpenta-1,3-diene
PubChem CID5365694
Molecular FormulaC6H10
Molecular Weight82.15 g/mol
Exact Mass82.08
IUPAC Name(3Z)-3-methylpenta-1,3-diene
SMILESC=C/C(C)=C\C
InChIInChI=1S/C6H10/c1-4-6(3)5-2/h4-5H,1H2,2-3H3/b6-5-
InChIKeyBOGRNZQRTNVZCZ-WAYWQWQTSA-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 (3Z)-3-methylpenta-1,3-diene?
The IUPAC name of (3Z)-3-methylpenta-1,3-diene (CID 5365694) is (3Z)-3-methylpenta-1,3-diene.
What is the SMILES notation for (3Z)-3-methylpenta-1,3-diene?
The canonical SMILES for (3Z)-3-methylpenta-1,3-diene is C=C/C(C)=C\C.
What is the InChIKey of (3Z)-3-methylpenta-1,3-diene?
The InChIKey is BOGRNZQRTNVZCZ-WAYWQWQTSA-N. The full InChI is InChI=1S/C6H10/c1-4-6(3)5-2/h4-5H,1H2,2-3H3/b6-5-.
What are the key properties of (3Z)-3-methylpenta-1,3-diene?
(3Z)-3-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 (3Z)-3-methylpenta-1,3-diene is sourced from PubChem (CID 5365694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).