(3Z,6Z,9Z)-pentadeca-3,6,9-trien-1-ol

C15H26O — CID 14359702

IUPAC(3Z,6Z,9Z)-pentadeca-3,6,9-trien-1-ol
SMILESCCCCC/C=C\C/C=C\C/C=C\CCO
InChIInChI=1S/C15H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h6-7,9-10,12-13,16H,2-5,8,11,14-15H2,1H3/b7-6-,10-9-,13-12-
InChIKeyRMGZIAIJNQGFMG-QNEBEIHSSA-N
MW222.37 g/mol
LogP4.40
Rot. Bonds10

About (3Z,6Z,9Z)-pentadeca-3,6,9-trien-1-ol

(3Z,6Z,9Z)-pentadeca-3,6,9-trien-1-ol (PubChem CID 14359702) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (3Z,6Z,9Z)-pentadeca-3,6,9-trien-1-ol.

Molecular Properties

Compound Name(3Z,6Z,9Z)-pentadeca-3,6,9-trien-1-ol
PubChem CID14359702
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(3Z,6Z,9Z)-pentadeca-3,6,9-trien-1-ol
SMILESCCCCC/C=C\C/C=C\C/C=C\CCO
InChIInChI=1S/C15H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h6-7,9-10,12-13,16H,2-5,8,11,14-15H2,1H3/b7-6-,10-9-,13-12-
InChIKeyRMGZIAIJNQGFMG-QNEBEIHSSA-N
XLogP4.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.40
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

(3E,6E)-henicosa-3,6-dien-1-ol
CID 141187941
(11Z)-icosa-5,8,11,14-tetraen-1-ol
CID 175962679
(14Z)-icosa-5,8,11,14-tetraen-1-ol
CID 175206596
icosa-5,8,11,14-tetraen-1-ol
CID 4282256
heptadec-3-en-1-ol
CID 86130004
(E)-heptadec-3-en-1-ol
CID 170849265
pentadeca-6,9-dien-1-ol
CID 548865
(7Z,10Z)-hexadeca-7,10-dien-1-ol
CID 129115258
(5E,8E)-tetradeca-5,8-diene
CID 13430684
(6Z,9Z)-nonadeca-6,9-diene
CID 14701065
hexatriaconta-6,9,12,24,27,30-hexaene
CID 54437867
(6Z,9Z)-pentacosa-6,9-diene
CID 56936115

Frequently Asked Questions

What is the IUPAC name of (3Z,6Z,9Z)-pentadeca-3,6,9-trien-1-ol?
The IUPAC name of (3Z,6Z,9Z)-pentadeca-3,6,9-trien-1-ol (CID 14359702) is (3Z,6Z,9Z)-pentadeca-3,6,9-trien-1-ol.
What is the SMILES notation for (3Z,6Z,9Z)-pentadeca-3,6,9-trien-1-ol?
The canonical SMILES for (3Z,6Z,9Z)-pentadeca-3,6,9-trien-1-ol is CCCCC/C=C\C/C=C\C/C=C\CCO.
What is the InChIKey of (3Z,6Z,9Z)-pentadeca-3,6,9-trien-1-ol?
The InChIKey is RMGZIAIJNQGFMG-QNEBEIHSSA-N. The full InChI is InChI=1S/C15H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h6-7,9-10,12-13,16H,2-5,8,11,14-15H2,1H3/b7-6-,10-9-,13-12-.
What are the key properties of (3Z,6Z,9Z)-pentadeca-3,6,9-trien-1-ol?
(3Z,6Z,9Z)-pentadeca-3,6,9-trien-1-ol has a molecular weight of 222.37 g/mol, XLogP of 4.40, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,6Z,9Z)-pentadeca-3,6,9-trien-1-ol is sourced from PubChem (CID 14359702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).