(4S,6E)-2-methylnona-6,8-dien-4-ol

C10H18O — CID 162418483

IUPAC(4S,6E)-2-methylnona-6,8-dien-4-ol
SMILESC=C/C=C/C[C@@H](O)CC(C)C
InChIInChI=1S/C10H18O/c1-4-5-6-7-10(11)8-9(2)3/h4-6,9-11H,1,7-8H2,2-3H3/b6-5+/t10-/m1/s1
InChIKeyJMLQFKGXAISYFL-BRAIEQGRSA-N
MW154.25 g/mol
LogP2.53
Rot. Bonds5

About (4S,6E)-2-methylnona-6,8-dien-4-ol

(4S,6E)-2-methylnona-6,8-dien-4-ol (PubChem CID 162418483) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (4S,6E)-2-methylnona-6,8-dien-4-ol.

Molecular Properties

Compound Name(4S,6E)-2-methylnona-6,8-dien-4-ol
PubChem CID162418483
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(4S,6E)-2-methylnona-6,8-dien-4-ol
SMILESC=C/C=C/C[C@@H](O)CC(C)C
InChIInChI=1S/C10H18O/c1-4-5-6-7-10(11)8-9(2)3/h4-6,9-11H,1,7-8H2,2-3H3/b6-5+/t10-/m1/s1
InChIKeyJMLQFKGXAISYFL-BRAIEQGRSA-N
XLogP2.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.53
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

(5E)-octa-5,7-dien-3-ol
CID 12576352
(2R,4E)-hepta-4,6-dien-2-ol
CID 101213551
(3E,5E,10E)-8-hydroxytrideca-3,5,10,12-tetraen-2-one
CID 171119152
(3E)-undeca-1,3-dien-6-ol
CID 15579179
(3E,6S,8E)-undeca-3,8,10-triene-1,6-diol
CID 156581779
(6Z)-1-(methylamino)nona-6,8-dien-4-ol
CID 167004821
(3Z)-6,7-dimethylocta-1,3-diene
CID 145174537
(4R,6R)-2,6-dimethyloct-7-en-4-ol
CID 92953759
octa-1,5,7-trien-3-ol
CID 57193976
3-penta-2,4-dienylpentane-2,4-dione
CID 539300
(2S,3R,4R,6Z)-4-methyl-2-(methylamino)nona-6,8-dien-3-ol
CID 141148513
(4R,6R)-2,8-dimethylnonane-4,6-diol
CID 15640449

Frequently Asked Questions

What is the IUPAC name of (4S,6E)-2-methylnona-6,8-dien-4-ol?
The IUPAC name of (4S,6E)-2-methylnona-6,8-dien-4-ol (CID 162418483) is (4S,6E)-2-methylnona-6,8-dien-4-ol.
What is the SMILES notation for (4S,6E)-2-methylnona-6,8-dien-4-ol?
The canonical SMILES for (4S,6E)-2-methylnona-6,8-dien-4-ol is C=C/C=C/C[C@@H](O)CC(C)C.
What is the InChIKey of (4S,6E)-2-methylnona-6,8-dien-4-ol?
The InChIKey is JMLQFKGXAISYFL-BRAIEQGRSA-N. The full InChI is InChI=1S/C10H18O/c1-4-5-6-7-10(11)8-9(2)3/h4-6,9-11H,1,7-8H2,2-3H3/b6-5+/t10-/m1/s1.
What are the key properties of (4S,6E)-2-methylnona-6,8-dien-4-ol?
(4S,6E)-2-methylnona-6,8-dien-4-ol has a molecular weight of 154.25 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6E)-2-methylnona-6,8-dien-4-ol is sourced from PubChem (CID 162418483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).