ethane;(5Z)-5-methylhepta-1,5-diene

C10H20 — CID 142997772

IUPACethane;(5Z)-5-methylhepta-1,5-diene
SMILESC=CCC/C(C)=C\C.CC
InChIInChI=1S/C8H14.C2H6/c1-4-6-7-8(3)5-2;1-2/h4-5H,1,6-7H2,2-3H3;1-2H3/b8-5-;
InChIKeyZKKNVXZIZSGNBH-HGKIGUAWSA-N
MW140.27 g/mol
LogP3.94
Rot. Bonds3

About ethane;(5Z)-5-methylhepta-1,5-diene

ethane;(5Z)-5-methylhepta-1,5-diene (PubChem CID 142997772) has the molecular formula C10H20 and a molecular weight of 140.27 g/mol. Its IUPAC name is ethane;(5Z)-5-methylhepta-1,5-diene.

Molecular Properties

Compound Nameethane;(5Z)-5-methylhepta-1,5-diene
PubChem CID142997772
Molecular FormulaC10H20
Molecular Weight140.27 g/mol
Exact Mass140.16
IUPAC Nameethane;(5Z)-5-methylhepta-1,5-diene
SMILESC=CCC/C(C)=C\C.CC
InChIInChI=1S/C8H14.C2H6/c1-4-6-7-8(3)5-2;1-2/h4-5H,1,6-7H2,2-3H3;1-2H3/b8-5-;
InChIKeyZKKNVXZIZSGNBH-HGKIGUAWSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.27
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;(5Z)-5-methylhepta-1,5-diene?
The IUPAC name of ethane;(5Z)-5-methylhepta-1,5-diene (CID 142997772) is ethane;(5Z)-5-methylhepta-1,5-diene.
What is the SMILES notation for ethane;(5Z)-5-methylhepta-1,5-diene?
The canonical SMILES for ethane;(5Z)-5-methylhepta-1,5-diene is C=CCC/C(C)=C\C.CC.
What is the InChIKey of ethane;(5Z)-5-methylhepta-1,5-diene?
The InChIKey is ZKKNVXZIZSGNBH-HGKIGUAWSA-N. The full InChI is InChI=1S/C8H14.C2H6/c1-4-6-7-8(3)5-2;1-2/h4-5H,1,6-7H2,2-3H3;1-2H3/b8-5-;.
What are the key properties of ethane;(5Z)-5-methylhepta-1,5-diene?
ethane;(5Z)-5-methylhepta-1,5-diene has a molecular weight of 140.27 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5Z)-5-methylhepta-1,5-diene is sourced from PubChem (CID 142997772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).