ethane;(4E,7Z)-7-ethyl-2,3-dimethyl-6-methylidene-5-prop-1-en-2-ylnona-2,4,7-triene

C21H38 — CID 167492357

IUPACethane;(4E,7Z)-7-ethyl-2,3-dimethyl-6-methylidene-5-prop-1-en-2-ylnona-2,4,7-triene
SMILESC=C(C)/C(=C\C(C)=C(C)C)C(=C)/C(=C\C)CC.CC.CC
InChIInChI=1S/C17H26.2C2H6/c1-9-16(10-2)15(8)17(13(5)6)11-14(7)12(3)4;2*1-2/h9,11H,5,8,10H2,1-4,6-7H3;2*1-2H3/b16-9-,17-11+;;
InChIKeyLCKZADAHHQSJHZ-JVKQEIMHSA-N
MW290.54 g/mol
LogP7.81
Rot. Bonds5

About ethane;(4E,7Z)-7-ethyl-2,3-dimethyl-6-methylidene-5-prop-1-en-2-ylnona-2,4,7-triene

ethane;(4E,7Z)-7-ethyl-2,3-dimethyl-6-methylidene-5-prop-1-en-2-ylnona-2,4,7-triene (PubChem CID 167492357) has the molecular formula C21H38 and a molecular weight of 290.54 g/mol. Its IUPAC name is ethane;(4E,7Z)-7-ethyl-2,3-dimethyl-6-methylidene-5-prop-1-en-2-ylnona-2,4,7-triene.

Molecular Properties

Compound Nameethane;(4E,7Z)-7-ethyl-2,3-dimethyl-6-methylidene-5-prop-1-en-2-ylnona-2,4,7-triene
PubChem CID167492357
Molecular FormulaC21H38
Molecular Weight290.54 g/mol
Exact Mass290.30
IUPAC Nameethane;(4E,7Z)-7-ethyl-2,3-dimethyl-6-methylidene-5-prop-1-en-2-ylnona-2,4,7-triene
SMILESC=C(C)/C(=C\C(C)=C(C)C)C(=C)/C(=C\C)CC.CC.CC
InChIInChI=1S/C17H26.2C2H6/c1-9-16(10-2)15(8)17(13(5)6)11-14(7)12(3)4;2*1-2/h9,11H,5,8,10H2,1-4,6-7H3;2*1-2H3/b16-9-,17-11+;;
InChIKeyLCKZADAHHQSJHZ-JVKQEIMHSA-N
XLogP7.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.54
LogP ≤ 57.81
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

ethane;(3Z,5Z)-5-ethyl-2,4-dimethylhepta-1,3,5-triene
CID 144632740
5-ethyl-3,4-dimethylidenehepta-1,5-diene
CID 91458758
[(4E)-4-ethyl-2-methylhexa-2,4-dien-3-yl]-dimethyl-trimethylsilyloxysilane
CID 5372949
(3Z)-3-ethyl-5-fluoro-2,6-dimethylhepta-1,3,5-triene
CID 145100268
(4E,6Z)-2,6-dimethyl-3-methylidene-4-prop-1-en-2-ylocta-1,4,6-triene
CID 153356652
(2Z,4Z)-3-ethyl-4-methyl-6-methylidenenona-2,4-diene
CID 171555067
(4Z)-2-methyl-3-methylidene-4-prop-1-en-2-ylhexa-1,4-diene
CID 166480860
(3Z,5Z)-3-ethyl-5-methylhepta-1,3,5-trien-2-ol
CID 142260565
(3E)-3-ethylidene-2-methylhex-1-ene
CID 143524978
(1Z)-2-ethyl-3-methylbuta-1,3-dien-1-amine
CID 143331601
(3E,5Z)-3-chloro-5-ethyl-4-methylhepta-1,3,5-triene
CID 144845951
3-ethylpent-3-en-2-one
CID 54009630

Frequently Asked Questions

What is the IUPAC name of ethane;(4E,7Z)-7-ethyl-2,3-dimethyl-6-methylidene-5-prop-1-en-2-ylnona-2,4,7-triene?
The IUPAC name of ethane;(4E,7Z)-7-ethyl-2,3-dimethyl-6-methylidene-5-prop-1-en-2-ylnona-2,4,7-triene (CID 167492357) is ethane;(4E,7Z)-7-ethyl-2,3-dimethyl-6-methylidene-5-prop-1-en-2-ylnona-2,4,7-triene.
What is the SMILES notation for ethane;(4E,7Z)-7-ethyl-2,3-dimethyl-6-methylidene-5-prop-1-en-2-ylnona-2,4,7-triene?
The canonical SMILES for ethane;(4E,7Z)-7-ethyl-2,3-dimethyl-6-methylidene-5-prop-1-en-2-ylnona-2,4,7-triene is C=C(C)/C(=C\C(C)=C(C)C)C(=C)/C(=C\C)CC.CC.CC.
What is the InChIKey of ethane;(4E,7Z)-7-ethyl-2,3-dimethyl-6-methylidene-5-prop-1-en-2-ylnona-2,4,7-triene?
The InChIKey is LCKZADAHHQSJHZ-JVKQEIMHSA-N. The full InChI is InChI=1S/C17H26.2C2H6/c1-9-16(10-2)15(8)17(13(5)6)11-14(7)12(3)4;2*1-2/h9,11H,5,8,10H2,1-4,6-7H3;2*1-2H3/b16-9-,17-11+;;.
What are the key properties of ethane;(4E,7Z)-7-ethyl-2,3-dimethyl-6-methylidene-5-prop-1-en-2-ylnona-2,4,7-triene?
ethane;(4E,7Z)-7-ethyl-2,3-dimethyl-6-methylidene-5-prop-1-en-2-ylnona-2,4,7-triene has a molecular weight of 290.54 g/mol, XLogP of 7.81, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4E,7Z)-7-ethyl-2,3-dimethyl-6-methylidene-5-prop-1-en-2-ylnona-2,4,7-triene is sourced from PubChem (CID 167492357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).