ethane;(7E)-2,7,10-trimethyl-5-methylideneundeca-1,7,9-triene

C17H30 — CID 145295307

IUPACethane;(7E)-2,7,10-trimethyl-5-methylideneundeca-1,7,9-triene
SMILESC=C(C)CCC(=C)C/C(C)=C/C=C(C)C.CC
InChIInChI=1S/C15H24.C2H6/c1-12(2)7-9-14(5)11-15(6)10-8-13(3)4;1-2/h8,10H,1,5,7,9,11H2,2-4,6H3;1-2H3/b15-10+;
InChIKeyOHWSBIUUJKIQSI-GYVLLFFHSA-N
MW234.43 g/mol
LogP6.23
Rot. Bonds6

About ethane;(7E)-2,7,10-trimethyl-5-methylideneundeca-1,7,9-triene

ethane;(7E)-2,7,10-trimethyl-5-methylideneundeca-1,7,9-triene (PubChem CID 145295307) has the molecular formula C17H30 and a molecular weight of 234.43 g/mol. Its IUPAC name is ethane;(7E)-2,7,10-trimethyl-5-methylideneundeca-1,7,9-triene.

Molecular Properties

Compound Nameethane;(7E)-2,7,10-trimethyl-5-methylideneundeca-1,7,9-triene
PubChem CID145295307
Molecular FormulaC17H30
Molecular Weight234.43 g/mol
Exact Mass234.23
IUPAC Nameethane;(7E)-2,7,10-trimethyl-5-methylideneundeca-1,7,9-triene
SMILESC=C(C)CCC(=C)C/C(C)=C/C=C(C)C.CC
InChIInChI=1S/C15H24.C2H6/c1-12(2)7-9-14(5)11-15(6)10-8-13(3)4;1-2/h8,10H,1,5,7,9,11H2,2-4,6H3;1-2H3/b15-10+;
InChIKeyOHWSBIUUJKIQSI-GYVLLFFHSA-N
XLogP6.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.43
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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2,5-dimethylhepta-2,4-diene
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(1Z)-2,5-dimethylhexa-1,5-dien-1-amine
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3-methyl-5-methylidenenon-2-ene
CID 86209707
3-methyl-5-methylidenedec-2-ene
CID 172548284
2-methyl-4-methylideneocta-1,7-diene
CID 140752999
dichloroplatinum;2,5-dimethylhexa-1,5-diene
CID 161462927
2-methyl-4-methylidenehept-1-ene
CID 58948030
2,4-dimethyl-6-methylidenenon-3-ene
CID 123168107
(5E,9E)-2,6,10,14-tetramethylpentadeca-1,5,9,13-tetraene
CID 11758910

Frequently Asked Questions

What is the IUPAC name of ethane;(7E)-2,7,10-trimethyl-5-methylideneundeca-1,7,9-triene?
The IUPAC name of ethane;(7E)-2,7,10-trimethyl-5-methylideneundeca-1,7,9-triene (CID 145295307) is ethane;(7E)-2,7,10-trimethyl-5-methylideneundeca-1,7,9-triene.
What is the SMILES notation for ethane;(7E)-2,7,10-trimethyl-5-methylideneundeca-1,7,9-triene?
The canonical SMILES for ethane;(7E)-2,7,10-trimethyl-5-methylideneundeca-1,7,9-triene is C=C(C)CCC(=C)C/C(C)=C/C=C(C)C.CC.
What is the InChIKey of ethane;(7E)-2,7,10-trimethyl-5-methylideneundeca-1,7,9-triene?
The InChIKey is OHWSBIUUJKIQSI-GYVLLFFHSA-N. The full InChI is InChI=1S/C15H24.C2H6/c1-12(2)7-9-14(5)11-15(6)10-8-13(3)4;1-2/h8,10H,1,5,7,9,11H2,2-4,6H3;1-2H3/b15-10+;.
What are the key properties of ethane;(7E)-2,7,10-trimethyl-5-methylideneundeca-1,7,9-triene?
ethane;(7E)-2,7,10-trimethyl-5-methylideneundeca-1,7,9-triene has a molecular weight of 234.43 g/mol, XLogP of 6.23, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(7E)-2,7,10-trimethyl-5-methylideneundeca-1,7,9-triene is sourced from PubChem (CID 145295307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).