[(E,2S)-pent-3-en-2-yl] propan-2-yl carbonate

C9H16O3 — CID 100943003

IUPAC[(E,2S)-pent-3-en-2-yl] propan-2-yl carbonate
SMILESC/C=C/[C@H](C)OC(=O)OC(C)C
InChIInChI=1S/C9H16O3/c1-5-6-8(4)12-9(10)11-7(2)3/h5-8H,1-4H3/b6-5+/t8-/m0/s1
InChIKeyMSBIGSIPFOOQRU-GJIOHYHPSA-N
MW172.22 g/mol
LogP2.51
Rot. Bonds3

About [(E,2S)-pent-3-en-2-yl] propan-2-yl carbonate

[(E,2S)-pent-3-en-2-yl] propan-2-yl carbonate (PubChem CID 100943003) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is [(E,2S)-pent-3-en-2-yl] propan-2-yl carbonate.

Molecular Properties

Compound Name[(E,2S)-pent-3-en-2-yl] propan-2-yl carbonate
PubChem CID100943003
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name[(E,2S)-pent-3-en-2-yl] propan-2-yl carbonate
SMILESC/C=C/[C@H](C)OC(=O)OC(C)C
InChIInChI=1S/C9H16O3/c1-5-6-8(4)12-9(10)11-7(2)3/h5-8H,1-4H3/b6-5+/t8-/m0/s1
InChIKeyMSBIGSIPFOOQRU-GJIOHYHPSA-N
XLogP2.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 52.51
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

[(E)-pent-3-en-2-yl] (E)-but-2-enoate
CID 14910863
pent-3-en-2-yl 2,2-dimethylpropanoate
CID 71349437
[(E,2S)-pent-3-en-2-yl] (E,3S)-3-methylhex-4-enoate
CID 10976411
1-cyanoiminopropan-2-yl propan-2-yl carbonate
CID 139835122
[(2S)-3-methylbutan-2-yl] propan-2-yl carbonate
CID 118177700
3-methylbutan-2-yl propan-2-yl carbonate
CID 23388328
propan-2-yl (Z,2S,3S)-2-hydroxy-3-methylhex-4-enoate
CID 23256461
bis(propan-2-yloxycarbonyloxy)methyl-but-2-enyl-oxophosphanium
CID 173060596
[(Z,2R)-pent-3-en-2-yl] hex-2-ynoate
CID 11148078
[(Z)-pent-3-en-2-yl] hex-2-ynoate
CID 11435299
[(3E,5E)-hepta-3,5-dien-2-yl] acetate
CID 12755488
[(E,2R,5R)-5-acetyloxyhex-3-en-2-yl] acetate
CID 166437845

Frequently Asked Questions

What is the IUPAC name of [(E,2S)-pent-3-en-2-yl] propan-2-yl carbonate?
The IUPAC name of [(E,2S)-pent-3-en-2-yl] propan-2-yl carbonate (CID 100943003) is [(E,2S)-pent-3-en-2-yl] propan-2-yl carbonate.
What is the SMILES notation for [(E,2S)-pent-3-en-2-yl] propan-2-yl carbonate?
The canonical SMILES for [(E,2S)-pent-3-en-2-yl] propan-2-yl carbonate is C/C=C/[C@H](C)OC(=O)OC(C)C.
What is the InChIKey of [(E,2S)-pent-3-en-2-yl] propan-2-yl carbonate?
The InChIKey is MSBIGSIPFOOQRU-GJIOHYHPSA-N. The full InChI is InChI=1S/C9H16O3/c1-5-6-8(4)12-9(10)11-7(2)3/h5-8H,1-4H3/b6-5+/t8-/m0/s1.
What are the key properties of [(E,2S)-pent-3-en-2-yl] propan-2-yl carbonate?
[(E,2S)-pent-3-en-2-yl] propan-2-yl carbonate has a molecular weight of 172.22 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,2S)-pent-3-en-2-yl] propan-2-yl carbonate is sourced from PubChem (CID 100943003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).