1-(2-methyloxetan-2-yl)propan-2-yl prop-2-enoate

C10H16O3 — CID 141251975

IUPAC1-(2-methyloxetan-2-yl)propan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)CC1(C)CCO1
InChIInChI=1S/C10H16O3/c1-4-9(11)13-8(2)7-10(3)5-6-12-10/h4,8H,1,5-7H2,2-3H3
InChIKeyUKBAPHLNRVMSOB-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.67
Rot. Bonds4

About 1-(2-methyloxetan-2-yl)propan-2-yl prop-2-enoate

1-(2-methyloxetan-2-yl)propan-2-yl prop-2-enoate (PubChem CID 141251975) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 1-(2-methyloxetan-2-yl)propan-2-yl prop-2-enoate.

Molecular Properties

Compound Name1-(2-methyloxetan-2-yl)propan-2-yl prop-2-enoate
PubChem CID141251975
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name1-(2-methyloxetan-2-yl)propan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)CC1(C)CCO1
InChIInChI=1S/C10H16O3/c1-4-9(11)13-8(2)7-10(3)5-6-12-10/h4,8H,1,5-7H2,2-3H3
InChIKeyUKBAPHLNRVMSOB-UHFFFAOYSA-N
XLogP1.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(trifluoromethyl)oxiran-2-yl]propan-2-yl prop-2-enoate
CID 141274288
6-prop-2-enoyloxyheptan-2-yl prop-2-enoate
CID 58537732
5-methylhexan-2-yl prop-2-enoate
CID 151222941
4-methylpent-4-en-2-yl prop-2-enoate
CID 102248237
1-(2-prop-2-enoyloxypropyl)cyclohexane-1,2-dicarboxylic acid
CID 56634315
1-[2,2-bis(2-prop-2-enoyloxypropyl)cyclohexyl]propan-2-yl prop-2-enoate
CID 141365621
CID 172734708
CID 172734708
1-acetyloxypropan-2-yl prop-2-enoate
CID 87413306
(7-chloro-7-oxoheptan-2-yl) prop-2-enoate
CID 164897717
5-[diethoxy(methyl)silyl]pentan-2-yl prop-2-enoate
CID 141250825
methane;2-prop-2-enoyloxypropyl prop-2-enoate
CID 161351901
2-prop-2-enoyloxypropyl 3-methylbutanoate
CID 170544082

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyloxetan-2-yl)propan-2-yl prop-2-enoate?
The IUPAC name of 1-(2-methyloxetan-2-yl)propan-2-yl prop-2-enoate (CID 141251975) is 1-(2-methyloxetan-2-yl)propan-2-yl prop-2-enoate.
What is the SMILES notation for 1-(2-methyloxetan-2-yl)propan-2-yl prop-2-enoate?
The canonical SMILES for 1-(2-methyloxetan-2-yl)propan-2-yl prop-2-enoate is C=CC(=O)OC(C)CC1(C)CCO1.
What is the InChIKey of 1-(2-methyloxetan-2-yl)propan-2-yl prop-2-enoate?
The InChIKey is UKBAPHLNRVMSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-4-9(11)13-8(2)7-10(3)5-6-12-10/h4,8H,1,5-7H2,2-3H3.
What are the key properties of 1-(2-methyloxetan-2-yl)propan-2-yl prop-2-enoate?
1-(2-methyloxetan-2-yl)propan-2-yl prop-2-enoate has a molecular weight of 184.23 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyloxetan-2-yl)propan-2-yl prop-2-enoate is sourced from PubChem (CID 141251975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).