(1-methylcyclodecyl) 2-(acetyloxymethyl)prop-2-enoate

C17H28O4 — CID 58757971

IUPAC(1-methylcyclodecyl) 2-(acetyloxymethyl)prop-2-enoate
SMILESC=C(COC(C)=O)C(=O)OC1(C)CCCCCCCCC1
InChIInChI=1S/C17H28O4/c1-14(13-20-15(2)18)16(19)21-17(3)11-9-7-5-4-6-8-10-12-17/h1,4-13H2,2-3H3
InChIKeyHPGCLAQRDAUZHC-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.93
Rot. Bonds4

About (1-methylcyclodecyl) 2-(acetyloxymethyl)prop-2-enoate

(1-methylcyclodecyl) 2-(acetyloxymethyl)prop-2-enoate (PubChem CID 58757971) has the molecular formula C17H28O4 and a molecular weight of 296.41 g/mol. Its IUPAC name is (1-methylcyclodecyl) 2-(acetyloxymethyl)prop-2-enoate.

Molecular Properties

Compound Name(1-methylcyclodecyl) 2-(acetyloxymethyl)prop-2-enoate
PubChem CID58757971
Molecular FormulaC17H28O4
Molecular Weight296.41 g/mol
Exact Mass296.20
IUPAC Name(1-methylcyclodecyl) 2-(acetyloxymethyl)prop-2-enoate
SMILESC=C(COC(C)=O)C(=O)OC1(C)CCCCCCCCC1
InChIInChI=1S/C17H28O4/c1-14(13-20-15(2)18)16(19)21-17(3)11-9-7-5-4-6-8-10-12-17/h1,4-13H2,2-3H3
InChIKeyHPGCLAQRDAUZHC-UHFFFAOYSA-N
XLogP3.93
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-methylcyclodecyl) 2-(acetyloxymethyl)prop-2-enoate?
The IUPAC name of (1-methylcyclodecyl) 2-(acetyloxymethyl)prop-2-enoate (CID 58757971) is (1-methylcyclodecyl) 2-(acetyloxymethyl)prop-2-enoate.
What is the SMILES notation for (1-methylcyclodecyl) 2-(acetyloxymethyl)prop-2-enoate?
The canonical SMILES for (1-methylcyclodecyl) 2-(acetyloxymethyl)prop-2-enoate is C=C(COC(C)=O)C(=O)OC1(C)CCCCCCCCC1.
What is the InChIKey of (1-methylcyclodecyl) 2-(acetyloxymethyl)prop-2-enoate?
The InChIKey is HPGCLAQRDAUZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O4/c1-14(13-20-15(2)18)16(19)21-17(3)11-9-7-5-4-6-8-10-12-17/h1,4-13H2,2-3H3.
What are the key properties of (1-methylcyclodecyl) 2-(acetyloxymethyl)prop-2-enoate?
(1-methylcyclodecyl) 2-(acetyloxymethyl)prop-2-enoate has a molecular weight of 296.41 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclodecyl) 2-(acetyloxymethyl)prop-2-enoate is sourced from PubChem (CID 58757971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).