acetic acid;11-methyltrideca-9,12-dien-1-ol

C16H30O3 — CID 71404204

IUPACacetic acid;11-methyltrideca-9,12-dien-1-ol
SMILESC=CC(C)C=CCCCCCCCCO.CC(=O)O
InChIInChI=1S/C14H26O.C2H4O2/c1-3-14(2)12-10-8-6-4-5-7-9-11-13-15;1-2(3)4/h3,10,12,14-15H,1,4-9,11,13H2,2H3;1H3,(H,3,4)
InChIKeyZHZORGVKQAXTAH-UHFFFAOYSA-N
MW270.41 g/mol
LogP4.18
Rot. Bonds10

About acetic acid;11-methyltrideca-9,12-dien-1-ol

acetic acid;11-methyltrideca-9,12-dien-1-ol (PubChem CID 71404204) has the molecular formula C16H30O3 and a molecular weight of 270.41 g/mol. Its IUPAC name is acetic acid;11-methyltrideca-9,12-dien-1-ol.

Molecular Properties

Compound Nameacetic acid;11-methyltrideca-9,12-dien-1-ol
PubChem CID71404204
Molecular FormulaC16H30O3
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Nameacetic acid;11-methyltrideca-9,12-dien-1-ol
SMILESC=CC(C)C=CCCCCCCCCO.CC(=O)O
InChIInChI=1S/C14H26O.C2H4O2/c1-3-14(2)12-10-8-6-4-5-7-9-11-13-15;1-2(3)4/h3,10,12,14-15H,1,4-9,11,13H2,2H3;1H3,(H,3,4)
InChIKeyZHZORGVKQAXTAH-UHFFFAOYSA-N
XLogP4.18
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

acetic acid;hexadec-10-en-1-ol
CID 71444791
acetic acid;(Z)-tetradec-8-en-1-ol
CID 175504388
(E)-10-hydroxydec-2-enoic acid
CID 5312738
(E)-20-hydroxy-2-methylicos-4-enoic acid
CID 18981421
acetic acid;(9E)-tetradeca-9,12-dien-1-ol
CID 122715473
acetic acid;butane-1,4-diol
CID 53446412
3-methylocta-1,4-diene
CID 123442447
acetic acid;tetracos-1-en-1-ol
CID 71418206
acetic acid;hexadec-1-en-1-ol
CID 71357658
heptadec-1-ene-1,17-diol
CID 142730253
(E)-hexadec-1-ene-1,16-diol
CID 57427575
hexadec-8-ene-1,16-diol
CID 54395986

Frequently Asked Questions

What is the IUPAC name of acetic acid;11-methyltrideca-9,12-dien-1-ol?
The IUPAC name of acetic acid;11-methyltrideca-9,12-dien-1-ol (CID 71404204) is acetic acid;11-methyltrideca-9,12-dien-1-ol.
What is the SMILES notation for acetic acid;11-methyltrideca-9,12-dien-1-ol?
The canonical SMILES for acetic acid;11-methyltrideca-9,12-dien-1-ol is C=CC(C)C=CCCCCCCCCO.CC(=O)O.
What is the InChIKey of acetic acid;11-methyltrideca-9,12-dien-1-ol?
The InChIKey is ZHZORGVKQAXTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O.C2H4O2/c1-3-14(2)12-10-8-6-4-5-7-9-11-13-15;1-2(3)4/h3,10,12,14-15H,1,4-9,11,13H2,2H3;1H3,(H,3,4).
What are the key properties of acetic acid;11-methyltrideca-9,12-dien-1-ol?
acetic acid;11-methyltrideca-9,12-dien-1-ol has a molecular weight of 270.41 g/mol, XLogP of 4.18, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;11-methyltrideca-9,12-dien-1-ol is sourced from PubChem (CID 71404204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).