pent-3-enyl hydrogen carbonate

C6H10O3 — CID 54464820

IUPACpent-3-enyl hydrogen carbonate
SMILESCC=CCCOC(=O)O
InChIInChI=1S/C6H10O3/c1-2-3-4-5-9-6(7)8/h2-3H,4-5H2,1H3,(H,7,8)
InChIKeyXECBJKQYTAMQOI-UHFFFAOYSA-N
MW130.14 g/mol
LogP1.65
Rot. Bonds3

About pent-3-enyl hydrogen carbonate

pent-3-enyl hydrogen carbonate (PubChem CID 54464820) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is pent-3-enyl hydrogen carbonate.

Molecular Properties

Compound Namepent-3-enyl hydrogen carbonate
PubChem CID54464820
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Namepent-3-enyl hydrogen carbonate
SMILESCC=CCCOC(=O)O
InChIInChI=1S/C6H10O3/c1-2-3-4-5-9-6(7)8/h2-3H,4-5H2,1H3,(H,7,8)
InChIKeyXECBJKQYTAMQOI-UHFFFAOYSA-N
XLogP1.65
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

pent-3-enyl acetate
CID 54089070
hept-2-ene;propyl hydrogen carbonate
CID 158833730
[(E)-pent-3-enyl] (E)-hex-4-enoate
CID 155647777
pent-3-enyl 3-oxobutanoate
CID 54469402
[(E)-pent-3-enyl] (E)-undec-9-enoate
CID 155355570
[(Z)-pent-3-enyl] N-ethylcarbamate
CID 170200580
pent-3-enyl (E)-dodec-10-enoate
CID 155355573
(E)-hept-5-enamide
CID 18415105
O-[(E)-pent-3-enyl]hydroxylamine
CID 87591306
carbamic acid;(E)-hex-2-ene
CID 174912639
(Z)-non-7-enamide
CID 5365368
2-methyl-N-[(E)-pent-3-enoxy]prop-2-enamide
CID 102118170

Frequently Asked Questions

What is the IUPAC name of pent-3-enyl hydrogen carbonate?
The IUPAC name of pent-3-enyl hydrogen carbonate (CID 54464820) is pent-3-enyl hydrogen carbonate.
What is the SMILES notation for pent-3-enyl hydrogen carbonate?
The canonical SMILES for pent-3-enyl hydrogen carbonate is CC=CCCOC(=O)O.
What is the InChIKey of pent-3-enyl hydrogen carbonate?
The InChIKey is XECBJKQYTAMQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3/c1-2-3-4-5-9-6(7)8/h2-3H,4-5H2,1H3,(H,7,8).
What are the key properties of pent-3-enyl hydrogen carbonate?
pent-3-enyl hydrogen carbonate has a molecular weight of 130.14 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pent-3-enyl hydrogen carbonate is sourced from PubChem (CID 54464820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).