ethane;(3Z)-2-methylpenta-1,3-diene

C8H16 — CID 142023424

IUPACethane;(3Z)-2-methylpenta-1,3-diene
SMILESC=C(C)/C=C\C.CC
InChIInChI=1S/C6H10.C2H6/c1-4-5-6(2)3;1-2/h4-5H,2H2,1,3H3;1-2H3/b5-4-;
InChIKeyLKSYVFWHEGZOKX-MKWAYWHRSA-N
MW112.22 g/mol
LogP3.16
Rot. Bonds1

About ethane;(3Z)-2-methylpenta-1,3-diene

ethane;(3Z)-2-methylpenta-1,3-diene (PubChem CID 142023424) has the molecular formula C8H16 and a molecular weight of 112.22 g/mol. Its IUPAC name is ethane;(3Z)-2-methylpenta-1,3-diene.

Molecular Properties

Compound Nameethane;(3Z)-2-methylpenta-1,3-diene
PubChem CID142023424
Molecular FormulaC8H16
Molecular Weight112.22 g/mol
Exact Mass112.13
IUPAC Nameethane;(3Z)-2-methylpenta-1,3-diene
SMILESC=C(C)/C=C\C.CC
InChIInChI=1S/C6H10.C2H6/c1-4-5-6(2)3;1-2/h4-5H,2H2,1,3H3;1-2H3/b5-4-;
InChIKeyLKSYVFWHEGZOKX-MKWAYWHRSA-N
XLogP3.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.22
LogP ≤ 53.16
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 ethane;(3Z)-2-methylpenta-1,3-diene?
The IUPAC name of ethane;(3Z)-2-methylpenta-1,3-diene (CID 142023424) is ethane;(3Z)-2-methylpenta-1,3-diene.
What is the SMILES notation for ethane;(3Z)-2-methylpenta-1,3-diene?
The canonical SMILES for ethane;(3Z)-2-methylpenta-1,3-diene is C=C(C)/C=C\C.CC.
What is the InChIKey of ethane;(3Z)-2-methylpenta-1,3-diene?
The InChIKey is LKSYVFWHEGZOKX-MKWAYWHRSA-N. The full InChI is InChI=1S/C6H10.C2H6/c1-4-5-6(2)3;1-2/h4-5H,2H2,1,3H3;1-2H3/b5-4-;.
What are the key properties of ethane;(3Z)-2-methylpenta-1,3-diene?
ethane;(3Z)-2-methylpenta-1,3-diene has a molecular weight of 112.22 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z)-2-methylpenta-1,3-diene is sourced from PubChem (CID 142023424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).