methyl 2-hydroxy-2-methylocta-3,5-dienoate

C10H16O3 — CID 71407260

IUPACmethyl 2-hydroxy-2-methylocta-3,5-dienoate
SMILESCCC=CC=CC(C)(O)C(=O)OC
InChIInChI=1S/C10H16O3/c1-4-5-6-7-8-10(2,12)9(11)13-3/h5-8,12H,4H2,1-3H3
InChIKeyZMRRVTWWWYNQMZ-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.43
Rot. Bonds4

About methyl 2-hydroxy-2-methylocta-3,5-dienoate

methyl 2-hydroxy-2-methylocta-3,5-dienoate (PubChem CID 71407260) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is methyl 2-hydroxy-2-methylocta-3,5-dienoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-methylocta-3,5-dienoate
PubChem CID71407260
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Namemethyl 2-hydroxy-2-methylocta-3,5-dienoate
SMILESCCC=CC=CC(C)(O)C(=O)OC
InChIInChI=1S/C10H16O3/c1-4-5-6-7-8-10(2,12)9(11)13-3/h5-8,12H,4H2,1-3H3
InChIKeyZMRRVTWWWYNQMZ-UHFFFAOYSA-N
XLogP1.43
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-hydroxy-2-methylhex-3-enamide
CID 146609859
dimethyl 2,2-bis[(Z)-hex-3-enyl]propanedioate
CID 166006092
(4E,6E)-2,2-dimethylnona-4,6-dien-3-one
CID 88588845
(5E)-octa-3,5-diene
CID 173104147
dimethyl 2-methyl-2-[(2E,4E)-nona-2,4-dienyl]propanedioate
CID 10778320
(3Z,5E)-octa-3,5-dien-2-one
CID 6428552
ethyl (E)-2,2-dimethylhex-3-enoate
CID 21487406
methyl 2-ethyl-2-methylpent-4-enoate
CID 14714437
methyl (2S)-2-amino-2-methylpent-4-enoate
CID 10261200
methyl (E)-2,2,4,4-tetramethylnon-5-enoate
CID 134380438
methyl (2E,7E,9E,11E)-tetradeca-2,7,9,11-tetraenoate
CID 24805993
ethane;(3Z,5Z)-octa-3,5-diene
CID 142104932

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-methylocta-3,5-dienoate?
The IUPAC name of methyl 2-hydroxy-2-methylocta-3,5-dienoate (CID 71407260) is methyl 2-hydroxy-2-methylocta-3,5-dienoate.
What is the SMILES notation for methyl 2-hydroxy-2-methylocta-3,5-dienoate?
The canonical SMILES for methyl 2-hydroxy-2-methylocta-3,5-dienoate is CCC=CC=CC(C)(O)C(=O)OC.
What is the InChIKey of methyl 2-hydroxy-2-methylocta-3,5-dienoate?
The InChIKey is ZMRRVTWWWYNQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-4-5-6-7-8-10(2,12)9(11)13-3/h5-8,12H,4H2,1-3H3.
What are the key properties of methyl 2-hydroxy-2-methylocta-3,5-dienoate?
methyl 2-hydroxy-2-methylocta-3,5-dienoate has a molecular weight of 184.23 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-methylocta-3,5-dienoate is sourced from PubChem (CID 71407260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).