ethane;(4E,6Z)-4-ethenyl-3,3-difluoro-2-methylocta-4,6-dien-2-ol

C15H28F2O — CID 164918182

IUPACethane;(4E,6Z)-4-ethenyl-3,3-difluoro-2-methylocta-4,6-dien-2-ol
SMILESC=C/C(=C\C=C/C)C(F)(F)C(C)(C)O.CC.CC
InChIInChI=1S/C11H16F2O.2C2H6/c1-5-7-8-9(6-2)11(12,13)10(3,4)14;2*1-2/h5-8,14H,2H2,1,3-4H3;2*1-2H3/b7-5-,9-8+;;
InChIKeyGUAMYPZVXDDXKF-TXRYRNSRSA-N
MW262.38 g/mol
LogP5.13
Rot. Bonds4

About ethane;(4E,6Z)-4-ethenyl-3,3-difluoro-2-methylocta-4,6-dien-2-ol

ethane;(4E,6Z)-4-ethenyl-3,3-difluoro-2-methylocta-4,6-dien-2-ol (PubChem CID 164918182) has the molecular formula C15H28F2O and a molecular weight of 262.38 g/mol. Its IUPAC name is ethane;(4E,6Z)-4-ethenyl-3,3-difluoro-2-methylocta-4,6-dien-2-ol.

Molecular Properties

Compound Nameethane;(4E,6Z)-4-ethenyl-3,3-difluoro-2-methylocta-4,6-dien-2-ol
PubChem CID164918182
Molecular FormulaC15H28F2O
Molecular Weight262.38 g/mol
Exact Mass262.21
IUPAC Nameethane;(4E,6Z)-4-ethenyl-3,3-difluoro-2-methylocta-4,6-dien-2-ol
SMILESC=C/C(=C\C=C/C)C(F)(F)C(C)(C)O.CC.CC
InChIInChI=1S/C11H16F2O.2C2H6/c1-5-7-8-9(6-2)11(12,13)10(3,4)14;2*1-2/h5-8,14H,2H2,1,3-4H3;2*1-2H3/b7-5-,9-8+;;
InChIKeyGUAMYPZVXDDXKF-TXRYRNSRSA-N
XLogP5.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.38
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;(3E,6E,8Z)-6-ethenyl-4-[(Z)-prop-1-enyl]-5,5-bis(trifluoromethyl)deca-1,3,6,8-tetraene
CID 145162819
ethane;[(3E,5Z)-3-ethenyl-2-phenylhepta-3,5-dien-2-yl]benzene
CID 163276575
ethane;(2Z,4E,7E)-5-ethenyl-7-[(Z)-prop-1-enyl]-6,6-bis(trifluoromethyl)deca-2,4,7-triene
CID 143322922
[(3E,5Z)-3-ethenyl-2-methylhepta-3,5-dien-2-yl]benzene
CID 142292724
ethane;(5E)-3-ethenylhepta-1,3,5-triene
CID 143978470
(4E,6Z)-4-(trifluoromethyl)octa-2,4,6-triene
CID 146353509
(2Z,4E,7E,9Z)-5,7-bis[(Z)-prop-1-enyl]-6,6-bis(trifluoromethyl)undeca-2,4,7,9-tetraene
CID 135298694
2-[[(3E,5E)-3-ethenyl-2-methylocta-3,5,7-trien-2-yl]oxymethyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 129145664
(3E,5Z)-3-ethenyl-2-methyl-2-phenylhepta-3,5-dienal
CID 88999679
(1Z,3E,5E)-1-iodo-3-(trifluoromethyl)hepta-1,3,5-triene
CID 126629591
(3E,5E)-7-methyl-3-(trifluoromethyl)octa-1,3,5-triene
CID 143576225
ethane;(3E,5E)-3-methylsulfanylhepta-1,3,5-triene
CID 142207373

Frequently Asked Questions

What is the IUPAC name of ethane;(4E,6Z)-4-ethenyl-3,3-difluoro-2-methylocta-4,6-dien-2-ol?
The IUPAC name of ethane;(4E,6Z)-4-ethenyl-3,3-difluoro-2-methylocta-4,6-dien-2-ol (CID 164918182) is ethane;(4E,6Z)-4-ethenyl-3,3-difluoro-2-methylocta-4,6-dien-2-ol.
What is the SMILES notation for ethane;(4E,6Z)-4-ethenyl-3,3-difluoro-2-methylocta-4,6-dien-2-ol?
The canonical SMILES for ethane;(4E,6Z)-4-ethenyl-3,3-difluoro-2-methylocta-4,6-dien-2-ol is C=C/C(=C\C=C/C)C(F)(F)C(C)(C)O.CC.CC.
What is the InChIKey of ethane;(4E,6Z)-4-ethenyl-3,3-difluoro-2-methylocta-4,6-dien-2-ol?
The InChIKey is GUAMYPZVXDDXKF-TXRYRNSRSA-N. The full InChI is InChI=1S/C11H16F2O.2C2H6/c1-5-7-8-9(6-2)11(12,13)10(3,4)14;2*1-2/h5-8,14H,2H2,1,3-4H3;2*1-2H3/b7-5-,9-8+;;.
What are the key properties of ethane;(4E,6Z)-4-ethenyl-3,3-difluoro-2-methylocta-4,6-dien-2-ol?
ethane;(4E,6Z)-4-ethenyl-3,3-difluoro-2-methylocta-4,6-dien-2-ol has a molecular weight of 262.38 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4E,6Z)-4-ethenyl-3,3-difluoro-2-methylocta-4,6-dien-2-ol is sourced from PubChem (CID 164918182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).