ethane;(3Z,5Z,7Z)-5-methylnona-1,3,5,7-tetraene

C12H20 — CID 143014542

IUPACethane;(3Z,5Z,7Z)-5-methylnona-1,3,5,7-tetraene
SMILESC=C/C=C\C(C)=C/C=C\C.CC
InChIInChI=1S/C10H14.C2H6/c1-4-6-8-10(3)9-7-5-2;1-2/h4-9H,1H2,2-3H3;1-2H3/b7-5-,8-6-,10-9-;
InChIKeySHPRHBYTWSUFQG-JTWPGVSUSA-N
MW164.29 g/mol
LogP4.28
Rot. Bonds3

About ethane;(3Z,5Z,7Z)-5-methylnona-1,3,5,7-tetraene

ethane;(3Z,5Z,7Z)-5-methylnona-1,3,5,7-tetraene (PubChem CID 143014542) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is ethane;(3Z,5Z,7Z)-5-methylnona-1,3,5,7-tetraene.

Molecular Properties

Compound Nameethane;(3Z,5Z,7Z)-5-methylnona-1,3,5,7-tetraene
PubChem CID143014542
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Nameethane;(3Z,5Z,7Z)-5-methylnona-1,3,5,7-tetraene
SMILESC=C/C=C\C(C)=C/C=C\C.CC
InChIInChI=1S/C10H14.C2H6/c1-4-6-8-10(3)9-7-5-2;1-2/h4-9H,1H2,2-3H3;1-2H3/b7-5-,8-6-,10-9-;
InChIKeySHPRHBYTWSUFQG-JTWPGVSUSA-N
XLogP4.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 54.28
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

(3Z,5Z,7E)-6-methylnona-1,3,5,7-tetraene
CID 144512529
(3Z,5Z)-5-methylhepta-1,3,5-triene;propane
CID 142516353
(1Z,3Z,5E)-1-fluoro-3-methylhepta-1,3,5-triene
CID 89402474
(3Z,5E,6E,8Z)-6-ethenyl-5-ethylidenedeca-1,3,6,8-tetraene
CID 142285656
2-methylbut-2-ene;(3E)-penta-1,3-diene
CID 6441481
ethene;(3Z,8E,10Z)-8-methyl-5-methylidenedodeca-1,3,8,10-tetraen-6-yne
CID 142176568
(3E)-penta-1,3-diene
CID 71777643
(2E,4E,6Z)-4-methylocta-2,4,6-trienoyl chloride
CID 87522076
3,7-dimethylnona-1,3,5,7-tetraene
CID 54076671
(1Z,3Z)-N,2-dimethylhexa-1,3,5-trien-1-amine
CID 126689878
2-methylpenta-1,3-diene;penta-1,3-diene
CID 158114840
(3Z,5E,6E,8Z)-6-ethyl-5-ethylidenedeca-1,3,6,8-tetraene
CID 177369316

Frequently Asked Questions

What is the IUPAC name of ethane;(3Z,5Z,7Z)-5-methylnona-1,3,5,7-tetraene?
The IUPAC name of ethane;(3Z,5Z,7Z)-5-methylnona-1,3,5,7-tetraene (CID 143014542) is ethane;(3Z,5Z,7Z)-5-methylnona-1,3,5,7-tetraene.
What is the SMILES notation for ethane;(3Z,5Z,7Z)-5-methylnona-1,3,5,7-tetraene?
The canonical SMILES for ethane;(3Z,5Z,7Z)-5-methylnona-1,3,5,7-tetraene is C=C/C=C\C(C)=C/C=C\C.CC.
What is the InChIKey of ethane;(3Z,5Z,7Z)-5-methylnona-1,3,5,7-tetraene?
The InChIKey is SHPRHBYTWSUFQG-JTWPGVSUSA-N. The full InChI is InChI=1S/C10H14.C2H6/c1-4-6-8-10(3)9-7-5-2;1-2/h4-9H,1H2,2-3H3;1-2H3/b7-5-,8-6-,10-9-;.
What are the key properties of ethane;(3Z,5Z,7Z)-5-methylnona-1,3,5,7-tetraene?
ethane;(3Z,5Z,7Z)-5-methylnona-1,3,5,7-tetraene has a molecular weight of 164.29 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z,5Z,7Z)-5-methylnona-1,3,5,7-tetraene is sourced from PubChem (CID 143014542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).