(5Z,7Z)-3-propan-2-yldeca-5,7,9-trien-1-ol

C13H22O — CID 87074346

IUPAC(5Z,7Z)-3-propan-2-yldeca-5,7,9-trien-1-ol
SMILESC=C/C=C\C=C/CC(CCO)C(C)C
InChIInChI=1S/C13H22O/c1-4-5-6-7-8-9-13(10-11-14)12(2)3/h4-8,12-14H,1,9-11H2,2-3H3/b6-5-,8-7-
InChIKeyWKBPPOYYQVMLBH-ISTTXYCBSA-N
MW194.32 g/mol
LogP3.33
Rot. Bonds7

About (5Z,7Z)-3-propan-2-yldeca-5,7,9-trien-1-ol

(5Z,7Z)-3-propan-2-yldeca-5,7,9-trien-1-ol (PubChem CID 87074346) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is (5Z,7Z)-3-propan-2-yldeca-5,7,9-trien-1-ol.

Molecular Properties

Compound Name(5Z,7Z)-3-propan-2-yldeca-5,7,9-trien-1-ol
PubChem CID87074346
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name(5Z,7Z)-3-propan-2-yldeca-5,7,9-trien-1-ol
SMILESC=C/C=C\C=C/CC(CCO)C(C)C
InChIInChI=1S/C13H22O/c1-4-5-6-7-8-9-13(10-11-14)12(2)3/h4-8,12-14H,1,9-11H2,2-3H3/b6-5-,8-7-
InChIKeyWKBPPOYYQVMLBH-ISTTXYCBSA-N
XLogP3.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z,7Z)-3-propan-2-yldeca-5,7,9-trien-1-ol?
The IUPAC name of (5Z,7Z)-3-propan-2-yldeca-5,7,9-trien-1-ol (CID 87074346) is (5Z,7Z)-3-propan-2-yldeca-5,7,9-trien-1-ol.
What is the SMILES notation for (5Z,7Z)-3-propan-2-yldeca-5,7,9-trien-1-ol?
The canonical SMILES for (5Z,7Z)-3-propan-2-yldeca-5,7,9-trien-1-ol is C=C/C=C\C=C/CC(CCO)C(C)C.
What is the InChIKey of (5Z,7Z)-3-propan-2-yldeca-5,7,9-trien-1-ol?
The InChIKey is WKBPPOYYQVMLBH-ISTTXYCBSA-N. The full InChI is InChI=1S/C13H22O/c1-4-5-6-7-8-9-13(10-11-14)12(2)3/h4-8,12-14H,1,9-11H2,2-3H3/b6-5-,8-7-.
What are the key properties of (5Z,7Z)-3-propan-2-yldeca-5,7,9-trien-1-ol?
(5Z,7Z)-3-propan-2-yldeca-5,7,9-trien-1-ol has a molecular weight of 194.32 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7Z)-3-propan-2-yldeca-5,7,9-trien-1-ol is sourced from PubChem (CID 87074346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).