3-ethylpent-1-en-3-yl propan-2-yl carbonate

C11H20O3 — CID 139638690

IUPAC3-ethylpent-1-en-3-yl propan-2-yl carbonate
SMILESC=CC(CC)(CC)OC(=O)OC(C)C
InChIInChI=1S/C11H20O3/c1-6-11(7-2,8-3)14-10(12)13-9(4)5/h6,9H,1,7-8H2,2-5H3
InChIKeyKMLWUTVOEKQXPH-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.29
Rot. Bonds5

About 3-ethylpent-1-en-3-yl propan-2-yl carbonate

3-ethylpent-1-en-3-yl propan-2-yl carbonate (PubChem CID 139638690) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-ethylpent-1-en-3-yl propan-2-yl carbonate.

Molecular Properties

Compound Name3-ethylpent-1-en-3-yl propan-2-yl carbonate
PubChem CID139638690
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name3-ethylpent-1-en-3-yl propan-2-yl carbonate
SMILESC=CC(CC)(CC)OC(=O)OC(C)C
InChIInChI=1S/C11H20O3/c1-6-11(7-2,8-3)14-10(12)13-9(4)5/h6,9H,1,7-8H2,2-5H3
InChIKeyKMLWUTVOEKQXPH-UHFFFAOYSA-N
XLogP3.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethylpentan-3-yl propan-2-yl carbonate
CID 173147258
3-ethylpent-1-en-3-yl 3-methylpentyl carbonate
CID 139639266
3-ethylpent-1-en-3-yl prop-2-enoate
CID 135009193
3-ethyl-4-methyl-3-propan-2-ylpent-1-ene
CID 141443775
propan-2-yl 2-ethyl-2,3-dimethylbutanoate
CID 87568455
bis(3-methylpent-1-en-3-yl) carbonate
CID 174555873
[(2E)-2-ethenylpenta-2,4-dienyl] propan-2-yl carbonate
CID 177245835
(1-bromo-2-iodopropan-2-yl) propan-2-yl carbonate
CID 87089777
propan-2-yl (4R)-4-methyl-4-prop-2-enoyloxyhexanoate
CID 122494016
5-ethenylnonan-5-yl 3-methylpentyl carbonate
CID 139639117
2-methylbut-3-en-2-yl 2-methylpropyl carbonate
CID 11217669
(1-hydroxy-2-methylbut-3-enyl) propan-2-yl carbonate
CID 123199643

Frequently Asked Questions

What is the IUPAC name of 3-ethylpent-1-en-3-yl propan-2-yl carbonate?
The IUPAC name of 3-ethylpent-1-en-3-yl propan-2-yl carbonate (CID 139638690) is 3-ethylpent-1-en-3-yl propan-2-yl carbonate.
What is the SMILES notation for 3-ethylpent-1-en-3-yl propan-2-yl carbonate?
The canonical SMILES for 3-ethylpent-1-en-3-yl propan-2-yl carbonate is C=CC(CC)(CC)OC(=O)OC(C)C.
What is the InChIKey of 3-ethylpent-1-en-3-yl propan-2-yl carbonate?
The InChIKey is KMLWUTVOEKQXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-6-11(7-2,8-3)14-10(12)13-9(4)5/h6,9H,1,7-8H2,2-5H3.
What are the key properties of 3-ethylpent-1-en-3-yl propan-2-yl carbonate?
3-ethylpent-1-en-3-yl propan-2-yl carbonate has a molecular weight of 200.28 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylpent-1-en-3-yl propan-2-yl carbonate is sourced from PubChem (CID 139638690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).