(3E)-3-hexylnona-3,8-dien-2-ol

C15H28O — CID 101365454

IUPAC(3E)-3-hexylnona-3,8-dien-2-ol
SMILESC=CCCC/C=C(\CCCCCC)C(C)O
InChIInChI=1S/C15H28O/c1-4-6-8-10-12-15(14(3)16)13-11-9-7-5-2/h4,12,14,16H,1,5-11,13H2,2-3H3/b15-12+
InChIKeyCHBVAYMUSBHNTA-NTCAYCPXSA-N
MW224.39 g/mol
LogP4.62
Rot. Bonds10

About (3E)-3-hexylnona-3,8-dien-2-ol

(3E)-3-hexylnona-3,8-dien-2-ol (PubChem CID 101365454) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is (3E)-3-hexylnona-3,8-dien-2-ol.

Molecular Properties

Compound Name(3E)-3-hexylnona-3,8-dien-2-ol
PubChem CID101365454
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name(3E)-3-hexylnona-3,8-dien-2-ol
SMILESC=CCCC/C=C(\CCCCCC)C(C)O
InChIInChI=1S/C15H28O/c1-4-6-8-10-12-15(14(3)16)13-11-9-7-5-2/h4,12,14,16H,1,5-11,13H2,2-3H3/b15-12+
InChIKeyCHBVAYMUSBHNTA-NTCAYCPXSA-N
XLogP4.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-propyldodec-3-en-2-ol
CID 71375191
(3Z)-3-(2-prop-2-enoxyethylidene)octan-2-ol
CID 177496841
28-hexylpentaconta-1,28-diene
CID 90932256
13-oct-7-enyltriaconta-1,13-diene
CID 123204509
(3E)-3-ethylocta-3,7-dien-2-ol
CID 88713488
19-tetradecylideneheptatriaconta-1,28-diene
CID 173321921
dec-1-ene;dodec-1-ene;19-pentadecylideneheptatriaconta-1,28-diene;undec-1-ene
CID 173410314
non-1-ene
CID 141296734
hexane;octadec-1-ene
CID 175577514
octadeca-1,17-diene;tetradec-1-ene
CID 173070986
octadec-1-ene;tetradec-1-ene
CID 158470925
dec-1-ene;dodec-1-ene;tetradec-1-ene
CID 159177706

Frequently Asked Questions

What is the IUPAC name of (3E)-3-hexylnona-3,8-dien-2-ol?
The IUPAC name of (3E)-3-hexylnona-3,8-dien-2-ol (CID 101365454) is (3E)-3-hexylnona-3,8-dien-2-ol.
What is the SMILES notation for (3E)-3-hexylnona-3,8-dien-2-ol?
The canonical SMILES for (3E)-3-hexylnona-3,8-dien-2-ol is C=CCCC/C=C(\CCCCCC)C(C)O.
What is the InChIKey of (3E)-3-hexylnona-3,8-dien-2-ol?
The InChIKey is CHBVAYMUSBHNTA-NTCAYCPXSA-N. The full InChI is InChI=1S/C15H28O/c1-4-6-8-10-12-15(14(3)16)13-11-9-7-5-2/h4,12,14,16H,1,5-11,13H2,2-3H3/b15-12+.
What are the key properties of (3E)-3-hexylnona-3,8-dien-2-ol?
(3E)-3-hexylnona-3,8-dien-2-ol has a molecular weight of 224.39 g/mol, XLogP of 4.62, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-hexylnona-3,8-dien-2-ol is sourced from PubChem (CID 101365454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).