4,4-dimethylpent-1-en-3-yl prop-2-enoate

C10H16O2 — CID 10749625

IUPAC4,4-dimethylpent-1-en-3-yl prop-2-enoate
SMILESC=CC(=O)OC(C=C)C(C)(C)C
InChIInChI=1S/C10H16O2/c1-6-8(10(3,4)5)12-9(11)7-2/h6-8H,1-2H2,3-5H3
InChIKeyMNZJCSCQDKVHAR-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.32
Rot. Bonds3

About 4,4-dimethylpent-1-en-3-yl prop-2-enoate

4,4-dimethylpent-1-en-3-yl prop-2-enoate (PubChem CID 10749625) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 4,4-dimethylpent-1-en-3-yl prop-2-enoate.

Molecular Properties

Compound Name4,4-dimethylpent-1-en-3-yl prop-2-enoate
PubChem CID10749625
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name4,4-dimethylpent-1-en-3-yl prop-2-enoate
SMILESC=CC(=O)OC(C=C)C(C)(C)C
InChIInChI=1S/C10H16O2/c1-6-8(10(3,4)5)12-9(11)7-2/h6-8H,1-2H2,3-5H3
InChIKeyMNZJCSCQDKVHAR-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
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

4,4-dimethylpent-1-en-3-yl 3-methylbut-2-enoate
CID 10750404
4,4-dimethylpent-1-en-3-yl acetate
CID 12593030
(4-ethenyl-4-ethylhexa-1,5-dien-3-yl) prop-2-enoate
CID 175020682
4,4-dimethylpent-1-en-3-yl but-2-ynoate
CID 100968905
[(3R,4S)-4-prop-2-enoyloxyhexa-1,5-dien-3-yl] prop-2-enoate
CID 57332053
(1-hydroxy-2-methylpropyl) prop-2-enoate
CID 23103213
[1-(diethylamino)-2,2-dimethylpropyl] prop-2-enoate
CID 54194729
1-(1-prop-2-enoyloxyethoxy)ethyl prop-2-enoate
CID 18008699
(2-ethyl-1-hydroxy-2-methylbutyl) prop-2-enoate
CID 154606970
CID 177132586
CID 177132586
1-fluoroprop-2-enyl prop-2-enoate
CID 87065178
1-silylprop-2-enyl prop-2-enoate
CID 173000207

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethylpent-1-en-3-yl prop-2-enoate?
The IUPAC name of 4,4-dimethylpent-1-en-3-yl prop-2-enoate (CID 10749625) is 4,4-dimethylpent-1-en-3-yl prop-2-enoate.
What is the SMILES notation for 4,4-dimethylpent-1-en-3-yl prop-2-enoate?
The canonical SMILES for 4,4-dimethylpent-1-en-3-yl prop-2-enoate is C=CC(=O)OC(C=C)C(C)(C)C.
What is the InChIKey of 4,4-dimethylpent-1-en-3-yl prop-2-enoate?
The InChIKey is MNZJCSCQDKVHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-6-8(10(3,4)5)12-9(11)7-2/h6-8H,1-2H2,3-5H3.
What are the key properties of 4,4-dimethylpent-1-en-3-yl prop-2-enoate?
4,4-dimethylpent-1-en-3-yl prop-2-enoate has a molecular weight of 168.24 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethylpent-1-en-3-yl prop-2-enoate is sourced from PubChem (CID 10749625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).