ethane;(6E,8E)-8-ethenyl-2,10-dimethylundeca-6,8,10-trien-2-ol

C17H30O — CID 143822198

IUPACethane;(6E,8E)-8-ethenyl-2,10-dimethylundeca-6,8,10-trien-2-ol
SMILESC=CC(/C=C/CCCC(C)(C)O)=C\C(=C)C.CC
InChIInChI=1S/C15H24O.C2H6/c1-6-14(12-13(2)3)10-8-7-9-11-15(4,5)16;1-2/h6,8,10,12,16H,1-2,7,9,11H2,3-5H3;1-2H3/b10-8+,14-12+;
InChIKeyKLWQAKNWZZARND-DAXLARRDSA-N
MW250.43 g/mol
LogP5.20
Rot. Bonds7

About ethane;(6E,8E)-8-ethenyl-2,10-dimethylundeca-6,8,10-trien-2-ol

ethane;(6E,8E)-8-ethenyl-2,10-dimethylundeca-6,8,10-trien-2-ol (PubChem CID 143822198) has the molecular formula C17H30O and a molecular weight of 250.43 g/mol. Its IUPAC name is ethane;(6E,8E)-8-ethenyl-2,10-dimethylundeca-6,8,10-trien-2-ol.

Molecular Properties

Compound Nameethane;(6E,8E)-8-ethenyl-2,10-dimethylundeca-6,8,10-trien-2-ol
PubChem CID143822198
Molecular FormulaC17H30O
Molecular Weight250.43 g/mol
Exact Mass250.23
IUPAC Nameethane;(6E,8E)-8-ethenyl-2,10-dimethylundeca-6,8,10-trien-2-ol
SMILESC=CC(/C=C/CCCC(C)(C)O)=C\C(=C)C.CC
InChIInChI=1S/C15H24O.C2H6/c1-6-14(12-13(2)3)10-8-7-9-11-15(4,5)16;1-2/h6,8,10,12,16H,1-2,7,9,11H2,3-5H3;1-2H3/b10-8+,14-12+;
InChIKeyKLWQAKNWZZARND-DAXLARRDSA-N
XLogP5.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.43
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;(6E,8E)-8-ethenyl-2,10-dimethylundeca-6,8,10-trien-2-ol?
The IUPAC name of ethane;(6E,8E)-8-ethenyl-2,10-dimethylundeca-6,8,10-trien-2-ol (CID 143822198) is ethane;(6E,8E)-8-ethenyl-2,10-dimethylundeca-6,8,10-trien-2-ol.
What is the SMILES notation for ethane;(6E,8E)-8-ethenyl-2,10-dimethylundeca-6,8,10-trien-2-ol?
The canonical SMILES for ethane;(6E,8E)-8-ethenyl-2,10-dimethylundeca-6,8,10-trien-2-ol is C=CC(/C=C/CCCC(C)(C)O)=C\C(=C)C.CC.
What is the InChIKey of ethane;(6E,8E)-8-ethenyl-2,10-dimethylundeca-6,8,10-trien-2-ol?
The InChIKey is KLWQAKNWZZARND-DAXLARRDSA-N. The full InChI is InChI=1S/C15H24O.C2H6/c1-6-14(12-13(2)3)10-8-7-9-11-15(4,5)16;1-2/h6,8,10,12,16H,1-2,7,9,11H2,3-5H3;1-2H3/b10-8+,14-12+;.
What are the key properties of ethane;(6E,8E)-8-ethenyl-2,10-dimethylundeca-6,8,10-trien-2-ol?
ethane;(6E,8E)-8-ethenyl-2,10-dimethylundeca-6,8,10-trien-2-ol has a molecular weight of 250.43 g/mol, XLogP of 5.20, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(6E,8E)-8-ethenyl-2,10-dimethylundeca-6,8,10-trien-2-ol is sourced from PubChem (CID 143822198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).