(3Z,5E)-5-fluoro-8-methylnona-1,3,5,8-tetraen-2-ol

C10H13FO — CID 88583275

IUPAC(3Z,5E)-5-fluoro-8-methylnona-1,3,5,8-tetraen-2-ol
SMILESC=C(O)/C=C\C(F)=C/CC(=C)C
InChIInChI=1S/C10H13FO/c1-8(2)4-6-10(11)7-5-9(3)12/h5-7,12H,1,3-4H2,2H3/b7-5-,10-6+
InChIKeyMRDUTGVZEANUNP-ZPRNNRRZSA-N
MW168.21 g/mol
LogP3.43
Rot. Bonds4

About (3Z,5E)-5-fluoro-8-methylnona-1,3,5,8-tetraen-2-ol

(3Z,5E)-5-fluoro-8-methylnona-1,3,5,8-tetraen-2-ol (PubChem CID 88583275) has the molecular formula C10H13FO and a molecular weight of 168.21 g/mol. Its IUPAC name is (3Z,5E)-5-fluoro-8-methylnona-1,3,5,8-tetraen-2-ol.

Molecular Properties

Compound Name(3Z,5E)-5-fluoro-8-methylnona-1,3,5,8-tetraen-2-ol
PubChem CID88583275
Molecular FormulaC10H13FO
Molecular Weight168.21 g/mol
Exact Mass168.10
IUPAC Name(3Z,5E)-5-fluoro-8-methylnona-1,3,5,8-tetraen-2-ol
SMILESC=C(O)/C=C\C(F)=C/CC(=C)C
InChIInChI=1S/C10H13FO/c1-8(2)4-6-10(11)7-5-9(3)12/h5-7,12H,1,3-4H2,2H3/b7-5-,10-6+
InChIKeyMRDUTGVZEANUNP-ZPRNNRRZSA-N
XLogP3.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.21
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

3,7-Octadien-2-ol, 2-methyl-6-methylene-, (E)-
CID 5363351
3,7-Dimethyl-4,6-octadien-3-ol
CID 86750
3,5-Octadien-2-ol, 2,6-dimethyl-, (5Z)-
CID 6436462
3,5-Octadien-2-ol, 2,6-dimethyl-, (5E)-
CID 6436463
(4E,6E)-3,7,11-trimethyldodeca-1,4,6,10-tetraen-3-ol
CID 10176834
2-Methyl-6-methylene-oct-3,7-dien-2-ol
CID 81478
3,5,7-Octatrien-2-ol, 2,6-dimethyl-
CID 538933
(3E,5E)-2,6-dimethylocta-3,5,7-trien-2-ol
CID 5363695
(Z,Z)-2,6-Dimethyl-3,5,7-octatrien-2-ol
CID 5363692
3,5-Heptadien-2-ol, 2,6-dimethyl-
CID 572128
CID 154734787
CID 154734787
(3S,4E,6E)-3,7,11-trimethyldodeca-1,4,6,10-tetraen-3-ol
CID 162945410

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-5-fluoro-8-methylnona-1,3,5,8-tetraen-2-ol?
The IUPAC name of (3Z,5E)-5-fluoro-8-methylnona-1,3,5,8-tetraen-2-ol (CID 88583275) is (3Z,5E)-5-fluoro-8-methylnona-1,3,5,8-tetraen-2-ol.
What is the SMILES notation for (3Z,5E)-5-fluoro-8-methylnona-1,3,5,8-tetraen-2-ol?
The canonical SMILES for (3Z,5E)-5-fluoro-8-methylnona-1,3,5,8-tetraen-2-ol is C=C(O)/C=C\C(F)=C/CC(=C)C.
What is the InChIKey of (3Z,5E)-5-fluoro-8-methylnona-1,3,5,8-tetraen-2-ol?
The InChIKey is MRDUTGVZEANUNP-ZPRNNRRZSA-N. The full InChI is InChI=1S/C10H13FO/c1-8(2)4-6-10(11)7-5-9(3)12/h5-7,12H,1,3-4H2,2H3/b7-5-,10-6+.
What are the key properties of (3Z,5E)-5-fluoro-8-methylnona-1,3,5,8-tetraen-2-ol?
(3Z,5E)-5-fluoro-8-methylnona-1,3,5,8-tetraen-2-ol has a molecular weight of 168.21 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-5-fluoro-8-methylnona-1,3,5,8-tetraen-2-ol is sourced from PubChem (CID 88583275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).