[1,2,2-tris(hydroxymethyl)cyclodecyl]methyl prop-2-enoate

C17H30O5 — CID 118386791

IUPAC[1,2,2-tris(hydroxymethyl)cyclodecyl]methyl prop-2-enoate
SMILESC=CC(=O)OCC1(CO)CCCCCCCCC1(CO)CO
InChIInChI=1S/C17H30O5/c1-2-15(21)22-14-17(13-20)10-8-6-4-3-5-7-9-16(17,11-18)12-19/h2,18-20H,1,3-14H2
InChIKeyZGUDXMGGBZMDLC-UHFFFAOYSA-N
MW314.42 g/mol
LogP1.80
Rot. Bonds6

About [1,2,2-tris(hydroxymethyl)cyclodecyl]methyl prop-2-enoate

[1,2,2-tris(hydroxymethyl)cyclodecyl]methyl prop-2-enoate (PubChem CID 118386791) has the molecular formula C17H30O5 and a molecular weight of 314.42 g/mol. Its IUPAC name is [1,2,2-tris(hydroxymethyl)cyclodecyl]methyl prop-2-enoate.

Molecular Properties

Compound Name[1,2,2-tris(hydroxymethyl)cyclodecyl]methyl prop-2-enoate
PubChem CID118386791
Molecular FormulaC17H30O5
Molecular Weight314.42 g/mol
Exact Mass314.21
IUPAC Name[1,2,2-tris(hydroxymethyl)cyclodecyl]methyl prop-2-enoate
SMILESC=CC(=O)OCC1(CO)CCCCCCCCC1(CO)CO
InChIInChI=1S/C17H30O5/c1-2-15(21)22-14-17(13-20)10-8-6-4-3-5-7-9-16(17,11-18)12-19/h2,18-20H,1,3-14H2
InChIKeyZGUDXMGGBZMDLC-UHFFFAOYSA-N
XLogP1.80
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.42
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-hydroxy-1,3,3-tris(prop-2-enoyloxymethyl)cyclohexyl]methyl prop-2-enoate
CID 68606821
(1-heptylcyclooctyl)methyl prop-2-enoate
CID 141276074
(3-hydroxy-5,7-diiodo-1-adamantyl)methyl prop-2-enoate
CID 154970486
tris([1-(hydroxymethyl)cyclodecyl]methanol);prop-2-enoic acid
CID 66920512
[1-(6-methylheptyl)cyclohexyl]methyl prop-2-enoate
CID 141276062
[3-(prop-2-enoyloxymethyl)oxetan-3-yl]methyl prop-2-enoate
CID 172769604
(1-pentylcyclobutyl)methyl prop-2-enoate
CID 141276106
hydroxymethyl prop-2-enoate;hydrate
CID 88522890
ethenoxyethene;[1-(hydroxymethyl)cyclohexyl]methanol;prop-2-enoic acid
CID 174637814
ethane-1,2-diol;prop-2-enoyloxymethyl prop-2-enoate
CID 138520908
3,3-difluoro-5-methyl-5-(prop-2-enoyloxymethyl)-2-(trifluoromethyl)oxolane-2-carboxylic acid
CID 89072491
(1-propylcyclononyl) prop-2-enoate
CID 141276110

Frequently Asked Questions

What is the IUPAC name of [1,2,2-tris(hydroxymethyl)cyclodecyl]methyl prop-2-enoate?
The IUPAC name of [1,2,2-tris(hydroxymethyl)cyclodecyl]methyl prop-2-enoate (CID 118386791) is [1,2,2-tris(hydroxymethyl)cyclodecyl]methyl prop-2-enoate.
What is the SMILES notation for [1,2,2-tris(hydroxymethyl)cyclodecyl]methyl prop-2-enoate?
The canonical SMILES for [1,2,2-tris(hydroxymethyl)cyclodecyl]methyl prop-2-enoate is C=CC(=O)OCC1(CO)CCCCCCCCC1(CO)CO.
What is the InChIKey of [1,2,2-tris(hydroxymethyl)cyclodecyl]methyl prop-2-enoate?
The InChIKey is ZGUDXMGGBZMDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O5/c1-2-15(21)22-14-17(13-20)10-8-6-4-3-5-7-9-16(17,11-18)12-19/h2,18-20H,1,3-14H2.
What are the key properties of [1,2,2-tris(hydroxymethyl)cyclodecyl]methyl prop-2-enoate?
[1,2,2-tris(hydroxymethyl)cyclodecyl]methyl prop-2-enoate has a molecular weight of 314.42 g/mol, XLogP of 1.80, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1,2,2-tris(hydroxymethyl)cyclodecyl]methyl prop-2-enoate is sourced from PubChem (CID 118386791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).