ethane;(3Z,5Z)-5-ethyl-2,4-dimethylhepta-1,3,5-triene

C15H30 — CID 144632740

IUPACethane;(3Z,5Z)-5-ethyl-2,4-dimethylhepta-1,3,5-triene
SMILESC=C(C)/C=C(C)\C(=C/C)CC.CC.CC
InChIInChI=1S/C11H18.2C2H6/c1-6-11(7-2)10(5)8-9(3)4;2*1-2/h6,8H,3,7H2,1-2,4-5H3;2*1-2H3/b10-8-,11-6-;;
InChIKeyYIXGDIAQGWCHBR-NSHSSHBYSA-N
MW210.40 g/mol
LogP5.92
Rot. Bonds3

About ethane;(3Z,5Z)-5-ethyl-2,4-dimethylhepta-1,3,5-triene

ethane;(3Z,5Z)-5-ethyl-2,4-dimethylhepta-1,3,5-triene (PubChem CID 144632740) has the molecular formula C15H30 and a molecular weight of 210.40 g/mol. Its IUPAC name is ethane;(3Z,5Z)-5-ethyl-2,4-dimethylhepta-1,3,5-triene.

Molecular Properties

Compound Nameethane;(3Z,5Z)-5-ethyl-2,4-dimethylhepta-1,3,5-triene
PubChem CID144632740
Molecular FormulaC15H30
Molecular Weight210.40 g/mol
Exact Mass210.23
IUPAC Nameethane;(3Z,5Z)-5-ethyl-2,4-dimethylhepta-1,3,5-triene
SMILESC=C(C)/C=C(C)\C(=C/C)CC.CC.CC
InChIInChI=1S/C11H18.2C2H6/c1-6-11(7-2)10(5)8-9(3)4;2*1-2/h6,8H,3,7H2,1-2,4-5H3;2*1-2H3/b10-8-,11-6-;;
InChIKeyYIXGDIAQGWCHBR-NSHSSHBYSA-N
XLogP5.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.40
LogP ≤ 55.92
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

(2Z,4Z)-3-ethyl-4-methyl-6-methylidenenona-2,4-diene
CID 171555067
(3Z,5Z)-5-ethyl-2,4-dimethylnona-1,3,5,8-tetraene;methane
CID 143713346
(2E,4E)-4-ethyl-3-methylhexa-2,4-dienamide
CID 14329806
(3Z)-2,4-dimethylhexa-1,3-diene;ethane
CID 145177084
(3Z,5Z)-2,5-dimethyl-4-(2-methylpropyl)hepta-1,3,5-triene
CID 164881280
ethane;(4E,7Z)-7-ethyl-2,3-dimethyl-6-methylidene-5-prop-1-en-2-ylnona-2,4,7-triene
CID 167492357
ethane;(3E)-4-ethyl-2-methylhepta-1,3-diene
CID 168939588
(3Z,5Z)-3-ethyl-5-methylhepta-1,3,5-trien-2-ol
CID 142260565
2,4-dimethylpenta-1,3-diene;ethane
CID 144511028
(3E,5Z)-3-chloro-5-ethyl-4-methylhepta-1,3,5-triene
CID 144845951
(2Z,4E)-4-bromo-3-ethylhepta-2,4-diene
CID 178143445
(3Z)-2-chloro-3,5-dimethylhexa-1,3,5-triene
CID 142150750

Frequently Asked Questions

What is the IUPAC name of ethane;(3Z,5Z)-5-ethyl-2,4-dimethylhepta-1,3,5-triene?
The IUPAC name of ethane;(3Z,5Z)-5-ethyl-2,4-dimethylhepta-1,3,5-triene (CID 144632740) is ethane;(3Z,5Z)-5-ethyl-2,4-dimethylhepta-1,3,5-triene.
What is the SMILES notation for ethane;(3Z,5Z)-5-ethyl-2,4-dimethylhepta-1,3,5-triene?
The canonical SMILES for ethane;(3Z,5Z)-5-ethyl-2,4-dimethylhepta-1,3,5-triene is C=C(C)/C=C(C)\C(=C/C)CC.CC.CC.
What is the InChIKey of ethane;(3Z,5Z)-5-ethyl-2,4-dimethylhepta-1,3,5-triene?
The InChIKey is YIXGDIAQGWCHBR-NSHSSHBYSA-N. The full InChI is InChI=1S/C11H18.2C2H6/c1-6-11(7-2)10(5)8-9(3)4;2*1-2/h6,8H,3,7H2,1-2,4-5H3;2*1-2H3/b10-8-,11-6-;;.
What are the key properties of ethane;(3Z,5Z)-5-ethyl-2,4-dimethylhepta-1,3,5-triene?
ethane;(3Z,5Z)-5-ethyl-2,4-dimethylhepta-1,3,5-triene has a molecular weight of 210.40 g/mol, XLogP of 5.92, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z,5Z)-5-ethyl-2,4-dimethylhepta-1,3,5-triene is sourced from PubChem (CID 144632740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).