ethane;(3E,6E)-4-ethenyl-6-[(Z)-prop-1-enyl]nona-1,3,6,8-tetraen-5-ol

C16H24O — CID 156838266

IUPACethane;(3E,6E)-4-ethenyl-6-[(Z)-prop-1-enyl]nona-1,3,6,8-tetraen-5-ol
SMILESC=C/C=C(\C=C)C(O)C(/C=C\C)=C/C=C.CC
InChIInChI=1S/C14H18O.C2H6/c1-5-9-12(8-4)14(15)13(10-6-2)11-7-3;1-2/h5-11,14-15H,1-2,4H2,3H3;1-2H3/b11-7-,12-9+,13-10+;
InChIKeyATPQGSLXSVUJIK-RCEJOEOESA-N
MW232.37 g/mol
LogP4.36
Rot. Bonds6

About ethane;(3E,6E)-4-ethenyl-6-[(Z)-prop-1-enyl]nona-1,3,6,8-tetraen-5-ol

ethane;(3E,6E)-4-ethenyl-6-[(Z)-prop-1-enyl]nona-1,3,6,8-tetraen-5-ol (PubChem CID 156838266) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is ethane;(3E,6E)-4-ethenyl-6-[(Z)-prop-1-enyl]nona-1,3,6,8-tetraen-5-ol.

Molecular Properties

Compound Nameethane;(3E,6E)-4-ethenyl-6-[(Z)-prop-1-enyl]nona-1,3,6,8-tetraen-5-ol
PubChem CID156838266
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Nameethane;(3E,6E)-4-ethenyl-6-[(Z)-prop-1-enyl]nona-1,3,6,8-tetraen-5-ol
SMILESC=C/C=C(\C=C)C(O)C(/C=C\C)=C/C=C.CC
InChIInChI=1S/C14H18O.C2H6/c1-5-9-12(8-4)14(15)13(10-6-2)11-7-3;1-2/h5-11,14-15H,1-2,4H2,3H3;1-2H3/b11-7-,12-9+,13-10+;
InChIKeyATPQGSLXSVUJIK-RCEJOEOESA-N
XLogP4.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.36
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,7Z)-4-ethenyl-6-ethylidene-5-methylnona-1,3,7-triene
CID 143201659
(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol
CID 87112963
ethane;(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine
CID 142253668
ethane;(3Z)-3-propan-2-ylhexa-1,3,5-triene
CID 142182204
ethane;(3E)-3-ethenylhexa-3,5-diene-1,2-diol
CID 145139860
ethane;methane;(3Z)-3-propan-2-ylhexa-1,3,5-triene
CID 162518558
ethane;[(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene
CID 143204941
N-[(3E)-2-hydroxy-3-[(Z)-prop-1-enyl]hexa-3,5-dienyl]formamide
CID 164901972
ethane;(3E,5Z)-3-ethenylhepta-3,5-dien-2-ol
CID 143979742
(2R,3E)-3-ethenylhexa-3,5-dien-2-amine
CID 142221873
(2S,3E)-3-ethenylhexa-3,5-dien-2-amine
CID 126549063
(3E,7E,8Z)-7-(1-chloroethylidene)-5-iodo-4-[(Z)-prop-1-enyl]deca-1,3,8-triene;ethane
CID 142578405

Frequently Asked Questions

What is the IUPAC name of ethane;(3E,6E)-4-ethenyl-6-[(Z)-prop-1-enyl]nona-1,3,6,8-tetraen-5-ol?
The IUPAC name of ethane;(3E,6E)-4-ethenyl-6-[(Z)-prop-1-enyl]nona-1,3,6,8-tetraen-5-ol (CID 156838266) is ethane;(3E,6E)-4-ethenyl-6-[(Z)-prop-1-enyl]nona-1,3,6,8-tetraen-5-ol.
What is the SMILES notation for ethane;(3E,6E)-4-ethenyl-6-[(Z)-prop-1-enyl]nona-1,3,6,8-tetraen-5-ol?
The canonical SMILES for ethane;(3E,6E)-4-ethenyl-6-[(Z)-prop-1-enyl]nona-1,3,6,8-tetraen-5-ol is C=C/C=C(\C=C)C(O)C(/C=C\C)=C/C=C.CC.
What is the InChIKey of ethane;(3E,6E)-4-ethenyl-6-[(Z)-prop-1-enyl]nona-1,3,6,8-tetraen-5-ol?
The InChIKey is ATPQGSLXSVUJIK-RCEJOEOESA-N. The full InChI is InChI=1S/C14H18O.C2H6/c1-5-9-12(8-4)14(15)13(10-6-2)11-7-3;1-2/h5-11,14-15H,1-2,4H2,3H3;1-2H3/b11-7-,12-9+,13-10+;.
What are the key properties of ethane;(3E,6E)-4-ethenyl-6-[(Z)-prop-1-enyl]nona-1,3,6,8-tetraen-5-ol?
ethane;(3E,6E)-4-ethenyl-6-[(Z)-prop-1-enyl]nona-1,3,6,8-tetraen-5-ol has a molecular weight of 232.37 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3E,6E)-4-ethenyl-6-[(Z)-prop-1-enyl]nona-1,3,6,8-tetraen-5-ol is sourced from PubChem (CID 156838266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).