3,4-dimethylpent-3-en-2-yl prop-2-enoate

C10H16O2 — CID 175606841

IUPAC3,4-dimethylpent-3-en-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)C(C)=C(C)C
InChIInChI=1S/C10H16O2/c1-6-10(11)12-9(5)8(4)7(2)3/h6,9H,1H2,2-5H3
InChIKeyOBIQVGBFHYJPOH-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.46
Rot. Bonds3

About 3,4-dimethylpent-3-en-2-yl prop-2-enoate

3,4-dimethylpent-3-en-2-yl prop-2-enoate (PubChem CID 175606841) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 3,4-dimethylpent-3-en-2-yl prop-2-enoate.

Molecular Properties

Compound Name3,4-dimethylpent-3-en-2-yl prop-2-enoate
PubChem CID175606841
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name3,4-dimethylpent-3-en-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)C(C)=C(C)C
InChIInChI=1S/C10H16O2/c1-6-10(11)12-9(5)8(4)7(2)3/h6,9H,1H2,2-5H3
InChIKeyOBIQVGBFHYJPOH-UHFFFAOYSA-N
XLogP2.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

lithium 2-prop-2-enoyloxypropanoate
CID 157433958
3,5-dioxohexan-2-yl prop-2-enoate
CID 20532556
1-(1-prop-2-enoyloxyethoxy)ethyl prop-2-enoate
CID 18008699
[diacetyloxy(methyl)silyl] 2-prop-2-enoyloxypropanoate
CID 151148002
(1-hydroxy-2-methylpropyl) prop-2-enoate
CID 23103213
1-dimethylarsanylethyl prop-2-enoate
CID 87979584
2-bromoethyl 2-prop-2-enoyloxypropanoate
CID 121344446
(4-cyano-3-oxobutan-2-yl) prop-2-enoate
CID 18702754
1-triacetyloxysilylethyl prop-2-enoate
CID 19827247
4-methylpent-4-en-2-yl prop-2-enoate
CID 102248237
[(3R,4S)-4-prop-2-enoyloxyhexa-1,5-dien-3-yl] prop-2-enoate
CID 57332053
3,3-dihydroxy-2-methylpropanoic acid;1-hydroxyethyl prop-2-enoate
CID 174945247

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylpent-3-en-2-yl prop-2-enoate?
The IUPAC name of 3,4-dimethylpent-3-en-2-yl prop-2-enoate (CID 175606841) is 3,4-dimethylpent-3-en-2-yl prop-2-enoate.
What is the SMILES notation for 3,4-dimethylpent-3-en-2-yl prop-2-enoate?
The canonical SMILES for 3,4-dimethylpent-3-en-2-yl prop-2-enoate is C=CC(=O)OC(C)C(C)=C(C)C.
What is the InChIKey of 3,4-dimethylpent-3-en-2-yl prop-2-enoate?
The InChIKey is OBIQVGBFHYJPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-6-10(11)12-9(5)8(4)7(2)3/h6,9H,1H2,2-5H3.
What are the key properties of 3,4-dimethylpent-3-en-2-yl prop-2-enoate?
3,4-dimethylpent-3-en-2-yl prop-2-enoate has a molecular weight of 168.24 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylpent-3-en-2-yl prop-2-enoate is sourced from PubChem (CID 175606841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).