acetic acid;2-methyldodeca-4,10-dien-3-ol

C15H28O3 — CID 173404041

IUPACacetic acid;2-methyldodeca-4,10-dien-3-ol
SMILESCC(=O)O.CC=CCCCCC=CC(O)C(C)C
InChIInChI=1S/C13H24O.C2H4O2/c1-4-5-6-7-8-9-10-11-13(14)12(2)3;1-2(3)4/h4-5,10-14H,6-9H2,1-3H3;1H3,(H,3,4)
InChIKeyYJZRIKWLBXUKJG-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.79
Rot. Bonds7

About acetic acid;2-methyldodeca-4,10-dien-3-ol

acetic acid;2-methyldodeca-4,10-dien-3-ol (PubChem CID 173404041) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is acetic acid;2-methyldodeca-4,10-dien-3-ol.

Molecular Properties

Compound Nameacetic acid;2-methyldodeca-4,10-dien-3-ol
PubChem CID173404041
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Nameacetic acid;2-methyldodeca-4,10-dien-3-ol
SMILESCC(=O)O.CC=CCCCCC=CC(O)C(C)C
InChIInChI=1S/C13H24O.C2H4O2/c1-4-5-6-7-8-9-10-11-13(14)12(2)3;1-2(3)4/h4-5,10-14H,6-9H2,1-3H3;1H3,(H,3,4)
InChIKeyYJZRIKWLBXUKJG-UHFFFAOYSA-N
XLogP3.79
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.79
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

7-methyloct-4-ene-1,6-diol
CID 57100736
(E)-2-methylnon-7-enoic acid
CID 146276957
2-methylnon-7-enamide
CID 142782091
(10S,11S)-10,11-dihydroxyoctadeca-8,12-dienoic acid
CID 162998890
(E)-non-7-en-2-ol
CID 14615052
acetic acid;(E)-hex-2-ene
CID 174958018
(E)-hept-2-ene;tris(propan-2-ol);titanium
CID 154676184
(E,2R)-2-methylhept-5-enoic acid
CID 100977914
(Z)-dodec-2-ene;propan-2-one
CID 175013676
(E)-2-methylnon-7-en-3-one
CID 88707157
acetic acid;octa-1,6-dien-3-ol
CID 161210848
11-methyldodec-9-enoic acid
CID 76621229

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-methyldodeca-4,10-dien-3-ol?
The IUPAC name of acetic acid;2-methyldodeca-4,10-dien-3-ol (CID 173404041) is acetic acid;2-methyldodeca-4,10-dien-3-ol.
What is the SMILES notation for acetic acid;2-methyldodeca-4,10-dien-3-ol?
The canonical SMILES for acetic acid;2-methyldodeca-4,10-dien-3-ol is CC(=O)O.CC=CCCCCC=CC(O)C(C)C.
What is the InChIKey of acetic acid;2-methyldodeca-4,10-dien-3-ol?
The InChIKey is YJZRIKWLBXUKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O.C2H4O2/c1-4-5-6-7-8-9-10-11-13(14)12(2)3;1-2(3)4/h4-5,10-14H,6-9H2,1-3H3;1H3,(H,3,4).
What are the key properties of acetic acid;2-methyldodeca-4,10-dien-3-ol?
acetic acid;2-methyldodeca-4,10-dien-3-ol has a molecular weight of 256.39 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-methyldodeca-4,10-dien-3-ol is sourced from PubChem (CID 173404041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).