(4E,6E)-4,6-dimethylnona-1,4,6,8-tetraen-2-ol

C11H16O — CID 118001222

IUPAC(4E,6E)-4,6-dimethylnona-1,4,6,8-tetraen-2-ol
SMILESC=C/C=C(C)/C=C(\C)CC(=C)O
InChIInChI=1S/C11H16O/c1-5-6-9(2)7-10(3)8-11(4)12/h5-7,12H,1,4,8H2,2-3H3/b9-6+,10-7+
InChIKeyOUPOUGQNZPXGAZ-KZZDLZNXSA-N
MW164.25 g/mol
LogP3.53
Rot. Bonds4

About (4E,6E)-4,6-dimethylnona-1,4,6,8-tetraen-2-ol

(4E,6E)-4,6-dimethylnona-1,4,6,8-tetraen-2-ol (PubChem CID 118001222) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is (4E,6E)-4,6-dimethylnona-1,4,6,8-tetraen-2-ol.

Molecular Properties

Compound Name(4E,6E)-4,6-dimethylnona-1,4,6,8-tetraen-2-ol
PubChem CID118001222
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name(4E,6E)-4,6-dimethylnona-1,4,6,8-tetraen-2-ol
SMILESC=C/C=C(C)/C=C(\C)CC(=C)O
InChIInChI=1S/C11H16O/c1-5-6-9(2)7-10(3)8-11(4)12/h5-7,12H,1,4,8H2,2-3H3/b9-6+,10-7+
InChIKeyOUPOUGQNZPXGAZ-KZZDLZNXSA-N
XLogP3.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3Z,5Z)-4,6-dimethylocta-1,3,5-triene
CID 142052852
(3E,5E)-2-(dibromomethyl)-3,5-dimethylocta-1,3,5,7-tetraene
CID 167298900
(3E)-3-methylhexa-1,3,5-triene
CID 5367380
(3Z,5E)-6-hydroperoxy-4-methylhepta-1,3,5-triene
CID 145263445
(3E,5Z)-3-bromo-5-methylocta-1,3,5,7-tetraene;ethane
CID 144847010
4,6-dimethylocta-1,3,6-triene
CID 59970849
(4Z,6Z)-4,6,8-trimethylnona-4,6,8-trien-2-one
CID 142133911
ethane;ethene;(3Z)-3-methylhexa-1,3,5-triene
CID 145383595
methyl (3E,5E)-5-methoxy-3-methylocta-3,5,7-trienoate
CID 143061630
(3Z,5E)-6-(2,2-difluoroethoxy)-4-methylhepta-1,3,5-triene
CID 144673111
(3Z)-4-methylocta-1,3,5-triene
CID 142968936
3-methylhexa-1,3,5-trien-1-ol
CID 173388708

Frequently Asked Questions

What is the IUPAC name of (4E,6E)-4,6-dimethylnona-1,4,6,8-tetraen-2-ol?
The IUPAC name of (4E,6E)-4,6-dimethylnona-1,4,6,8-tetraen-2-ol (CID 118001222) is (4E,6E)-4,6-dimethylnona-1,4,6,8-tetraen-2-ol.
What is the SMILES notation for (4E,6E)-4,6-dimethylnona-1,4,6,8-tetraen-2-ol?
The canonical SMILES for (4E,6E)-4,6-dimethylnona-1,4,6,8-tetraen-2-ol is C=C/C=C(C)/C=C(\C)CC(=C)O.
What is the InChIKey of (4E,6E)-4,6-dimethylnona-1,4,6,8-tetraen-2-ol?
The InChIKey is OUPOUGQNZPXGAZ-KZZDLZNXSA-N. The full InChI is InChI=1S/C11H16O/c1-5-6-9(2)7-10(3)8-11(4)12/h5-7,12H,1,4,8H2,2-3H3/b9-6+,10-7+.
What are the key properties of (4E,6E)-4,6-dimethylnona-1,4,6,8-tetraen-2-ol?
(4E,6E)-4,6-dimethylnona-1,4,6,8-tetraen-2-ol has a molecular weight of 164.25 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6E)-4,6-dimethylnona-1,4,6,8-tetraen-2-ol is sourced from PubChem (CID 118001222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).