acetic acid;2,4-dimethylhepta-2,6-dien-1-ol

C11H20O3 — CID 71343494

IUPACacetic acid;2,4-dimethylhepta-2,6-dien-1-ol
SMILESC=CCC(C)C=C(C)CO.CC(=O)O
InChIInChI=1S/C9H16O.C2H4O2/c1-4-5-8(2)6-9(3)7-10;1-2(3)4/h4,6,8,10H,1,5,7H2,2-3H3;1H3,(H,3,4)
InChIKeyRCFWHSYKWXSDBT-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.23
Rot. Bonds4

About acetic acid;2,4-dimethylhepta-2,6-dien-1-ol

acetic acid;2,4-dimethylhepta-2,6-dien-1-ol (PubChem CID 71343494) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is acetic acid;2,4-dimethylhepta-2,6-dien-1-ol.

Molecular Properties

Compound Nameacetic acid;2,4-dimethylhepta-2,6-dien-1-ol
PubChem CID71343494
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Nameacetic acid;2,4-dimethylhepta-2,6-dien-1-ol
SMILESC=CCC(C)C=C(C)CO.CC(=O)O
InChIInChI=1S/C9H16O.C2H4O2/c1-4-5-8(2)6-9(3)7-10;1-2(3)4/h4,6,8,10H,1,5,7H2,2-3H3;1H3,(H,3,4)
InChIKeyRCFWHSYKWXSDBT-UHFFFAOYSA-N
XLogP2.23
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methylhepta-2,6-dienoic acid
CID 123607563
(2R)-2-methylpent-4-enal;(2S)-2-methylpent-4-enal
CID 159356826
(4R,5E)-7,7,7-trifluoro-4,6-dimethylhepta-1,5-diene
CID 90261567
2,4-dimethylpent-2-en-1-ol
CID 54511819
(3E)-5-methylocta-3,7-dienoic acid
CID 12676518
(Z)-5-methoxy-2,4-dimethylpent-2-en-1-ol
CID 116503510
6-iodo-2,4-dimethylhept-2-en-1-ol
CID 54317872
[(E)-1-acetyloxy-4-hydroxy-3-methylbut-2-enyl] acetate
CID 88701482
acetic acid;but-1-ene
CID 88520349
methanol;(2S)-2-methylpent-4-en-1-ol
CID 143099829
(E)-3,5-dimethyloct-4-enoic acid
CID 155169082
N-(1-acetamidobut-3-enyl)acetamide
CID 88635946

Frequently Asked Questions

What is the IUPAC name of acetic acid;2,4-dimethylhepta-2,6-dien-1-ol?
The IUPAC name of acetic acid;2,4-dimethylhepta-2,6-dien-1-ol (CID 71343494) is acetic acid;2,4-dimethylhepta-2,6-dien-1-ol.
What is the SMILES notation for acetic acid;2,4-dimethylhepta-2,6-dien-1-ol?
The canonical SMILES for acetic acid;2,4-dimethylhepta-2,6-dien-1-ol is C=CCC(C)C=C(C)CO.CC(=O)O.
What is the InChIKey of acetic acid;2,4-dimethylhepta-2,6-dien-1-ol?
The InChIKey is RCFWHSYKWXSDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O.C2H4O2/c1-4-5-8(2)6-9(3)7-10;1-2(3)4/h4,6,8,10H,1,5,7H2,2-3H3;1H3,(H,3,4).
What are the key properties of acetic acid;2,4-dimethylhepta-2,6-dien-1-ol?
acetic acid;2,4-dimethylhepta-2,6-dien-1-ol has a molecular weight of 200.28 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2,4-dimethylhepta-2,6-dien-1-ol is sourced from PubChem (CID 71343494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).