methyl 10-hydroxy-2-methylidenedecanoate

C12H22O3 — CID 86185620

IUPACmethyl 10-hydroxy-2-methylidenedecanoate
SMILESC=C(CCCCCCCCO)C(=O)OC
InChIInChI=1S/C12H22O3/c1-11(12(14)15-2)9-7-5-3-4-6-8-10-13/h13H,1,3-10H2,2H3
InChIKeyPTWBVWFOPONVAP-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.44
Rot. Bonds9

About methyl 10-hydroxy-2-methylidenedecanoate

methyl 10-hydroxy-2-methylidenedecanoate (PubChem CID 86185620) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is methyl 10-hydroxy-2-methylidenedecanoate.

Molecular Properties

Compound Namemethyl 10-hydroxy-2-methylidenedecanoate
PubChem CID86185620
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Namemethyl 10-hydroxy-2-methylidenedecanoate
SMILESC=C(CCCCCCCCO)C(=O)OC
InChIInChI=1S/C12H22O3/c1-11(12(14)15-2)9-7-5-3-4-6-8-10-13/h13H,1,3-10H2,2H3
InChIKeyPTWBVWFOPONVAP-UHFFFAOYSA-N
XLogP2.44
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 10-hydroxy-2-methylidenedecanoate?
The IUPAC name of methyl 10-hydroxy-2-methylidenedecanoate (CID 86185620) is methyl 10-hydroxy-2-methylidenedecanoate.
What is the SMILES notation for methyl 10-hydroxy-2-methylidenedecanoate?
The canonical SMILES for methyl 10-hydroxy-2-methylidenedecanoate is C=C(CCCCCCCCO)C(=O)OC.
What is the InChIKey of methyl 10-hydroxy-2-methylidenedecanoate?
The InChIKey is PTWBVWFOPONVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-11(12(14)15-2)9-7-5-3-4-6-8-10-13/h13H,1,3-10H2,2H3.
What are the key properties of methyl 10-hydroxy-2-methylidenedecanoate?
methyl 10-hydroxy-2-methylidenedecanoate has a molecular weight of 214.30 g/mol, XLogP of 2.44, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 10-hydroxy-2-methylidenedecanoate is sourced from PubChem (CID 86185620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).