[9-hydroxy-8-(hydroxymethyl)nonyl] 2-methylprop-2-enoate

C14H26O4 — CID 23046622

IUPAC[9-hydroxy-8-(hydroxymethyl)nonyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCCC(CO)CO
InChIInChI=1S/C14H26O4/c1-12(2)14(17)18-9-7-5-3-4-6-8-13(10-15)11-16/h13,15-16H,1,3-11H2,2H3
InChIKeyPCYZONAOUHNOBP-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.05
Rot. Bonds11

About [9-hydroxy-8-(hydroxymethyl)nonyl] 2-methylprop-2-enoate

[9-hydroxy-8-(hydroxymethyl)nonyl] 2-methylprop-2-enoate (PubChem CID 23046622) has the molecular formula C14H26O4 and a molecular weight of 258.36 g/mol. Its IUPAC name is [9-hydroxy-8-(hydroxymethyl)nonyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[9-hydroxy-8-(hydroxymethyl)nonyl] 2-methylprop-2-enoate
PubChem CID23046622
Molecular FormulaC14H26O4
Molecular Weight258.36 g/mol
Exact Mass258.18
IUPAC Name[9-hydroxy-8-(hydroxymethyl)nonyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCCC(CO)CO
InChIInChI=1S/C14H26O4/c1-12(2)14(17)18-9-7-5-3-4-6-8-13(10-15)11-16/h13,15-16H,1,3-11H2,2H3
InChIKeyPCYZONAOUHNOBP-UHFFFAOYSA-N
XLogP2.05
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

[7-ethyl-10-(2-methylprop-2-enoyloxy)decyl] 2-methylprop-2-enoate
CID 155725182
5-ethyloctadecyl 2-methylprop-2-enoate
CID 87137443
8-propyltetradecyl 2-methylprop-2-enoate
CID 156690480
ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
2-[10-(2-methylprop-2-enoyloxy)decyl]propanedioic acid
CID 14453192
10-(3-methylbuta-1,3-dien-2-yloxy)decyl 2-methylprop-2-enoate
CID 176866150
hexane-1,6-diol;9-(2-methylprop-2-enoyloxy)nonyl 2-methylprop-2-enoate
CID 90169594
bis(ethane-1,2-diol);4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
CID 88656789
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
6-methylheptyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
CID 175749007
3-butylhexadecyl 2-methylprop-2-enoate
CID 140601631
5-methoxyhexyl 2-methylprop-2-enoate
CID 164776175

Frequently Asked Questions

What is the IUPAC name of [9-hydroxy-8-(hydroxymethyl)nonyl] 2-methylprop-2-enoate?
The IUPAC name of [9-hydroxy-8-(hydroxymethyl)nonyl] 2-methylprop-2-enoate (CID 23046622) is [9-hydroxy-8-(hydroxymethyl)nonyl] 2-methylprop-2-enoate.
What is the SMILES notation for [9-hydroxy-8-(hydroxymethyl)nonyl] 2-methylprop-2-enoate?
The canonical SMILES for [9-hydroxy-8-(hydroxymethyl)nonyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCCCCC(CO)CO.
What is the InChIKey of [9-hydroxy-8-(hydroxymethyl)nonyl] 2-methylprop-2-enoate?
The InChIKey is PCYZONAOUHNOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O4/c1-12(2)14(17)18-9-7-5-3-4-6-8-13(10-15)11-16/h13,15-16H,1,3-11H2,2H3.
What are the key properties of [9-hydroxy-8-(hydroxymethyl)nonyl] 2-methylprop-2-enoate?
[9-hydroxy-8-(hydroxymethyl)nonyl] 2-methylprop-2-enoate has a molecular weight of 258.36 g/mol, XLogP of 2.05, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [9-hydroxy-8-(hydroxymethyl)nonyl] 2-methylprop-2-enoate is sourced from PubChem (CID 23046622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).