ethane;(3Z)-4-ethyl-3,5,8-trimethylnona-1,3-diene

C16H32 — CID 143345850

IUPACethane;(3Z)-4-ethyl-3,5,8-trimethylnona-1,3-diene
SMILESC=C/C(C)=C(/CC)C(C)CCC(C)C.CC
InChIInChI=1S/C14H26.C2H6/c1-7-12(5)14(8-2)13(6)10-9-11(3)4;1-2/h7,11,13H,1,8-10H2,2-6H3;1-2H3/b14-12-;
InChIKeyXAHKDZBEWCOFKO-CTMPBGLUSA-N
MW224.43 g/mol
LogP6.00
Rot. Bonds6

About ethane;(3Z)-4-ethyl-3,5,8-trimethylnona-1,3-diene

ethane;(3Z)-4-ethyl-3,5,8-trimethylnona-1,3-diene (PubChem CID 143345850) has the molecular formula C16H32 and a molecular weight of 224.43 g/mol. Its IUPAC name is ethane;(3Z)-4-ethyl-3,5,8-trimethylnona-1,3-diene.

Molecular Properties

Compound Nameethane;(3Z)-4-ethyl-3,5,8-trimethylnona-1,3-diene
PubChem CID143345850
Molecular FormulaC16H32
Molecular Weight224.43 g/mol
Exact Mass224.25
IUPAC Nameethane;(3Z)-4-ethyl-3,5,8-trimethylnona-1,3-diene
SMILESC=C/C(C)=C(/CC)C(C)CCC(C)C.CC
InChIInChI=1S/C14H26.C2H6/c1-7-12(5)14(8-2)13(6)10-9-11(3)4;1-2/h7,11,13H,1,8-10H2,2-6H3;1-2H3/b14-12-;
InChIKeyXAHKDZBEWCOFKO-CTMPBGLUSA-N
XLogP6.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.43
LogP ≤ 56.00
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)-2,6,9-trimethyl-5-methylidenedeca-1,3-diene
CID 142315243
3,6-dimethylhept-1-ene;ethane
CID 142076338
CID 173481307
CID 173481307
(3Z)-4-ethenyl-3,6-dimethylhepta-1,3-diene
CID 142238134
2-methylbuta-1,3-diene;2-methylbut-1-ene
CID 160626231
N,2,6-trimethylhept-1-en-3-amine
CID 79190078
(3Z,7Z)-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene
CID 143727055
ethane;(3E,5Z)-4-ethenyl-5-ethylidene-3,7-dimethylocta-1,3-diene
CID 144627723
ethane;2-methylbut-1-ene;(3S)-3-methylhepta-1,6-diene
CID 176715177
(4E,6Z)-3,5,7-trimethylnona-4,6,8-trien-4-ol
CID 142311406
(3Z)-6,9-dimethyl-2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxy-5-methylidenedeca-1,3-diene
CID 144754217
ethane;(3Z)-3-methylpenta-1,3-diene;propane
CID 143719744

Frequently Asked Questions

What is the IUPAC name of ethane;(3Z)-4-ethyl-3,5,8-trimethylnona-1,3-diene?
The IUPAC name of ethane;(3Z)-4-ethyl-3,5,8-trimethylnona-1,3-diene (CID 143345850) is ethane;(3Z)-4-ethyl-3,5,8-trimethylnona-1,3-diene.
What is the SMILES notation for ethane;(3Z)-4-ethyl-3,5,8-trimethylnona-1,3-diene?
The canonical SMILES for ethane;(3Z)-4-ethyl-3,5,8-trimethylnona-1,3-diene is C=C/C(C)=C(/CC)C(C)CCC(C)C.CC.
What is the InChIKey of ethane;(3Z)-4-ethyl-3,5,8-trimethylnona-1,3-diene?
The InChIKey is XAHKDZBEWCOFKO-CTMPBGLUSA-N. The full InChI is InChI=1S/C14H26.C2H6/c1-7-12(5)14(8-2)13(6)10-9-11(3)4;1-2/h7,11,13H,1,8-10H2,2-6H3;1-2H3/b14-12-;.
What are the key properties of ethane;(3Z)-4-ethyl-3,5,8-trimethylnona-1,3-diene?
ethane;(3Z)-4-ethyl-3,5,8-trimethylnona-1,3-diene has a molecular weight of 224.43 g/mol, XLogP of 6.00, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z)-4-ethyl-3,5,8-trimethylnona-1,3-diene is sourced from PubChem (CID 143345850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).