3-pentoxy-3H-furan-2-one

C9H14O3 — CID 70212085

IUPAC3-pentoxy-3H-furan-2-one
SMILESCCCCCOC1C=COC1=O
InChIInChI=1S/C9H14O3/c1-2-3-4-6-11-8-5-7-12-9(8)10/h5,7-8H,2-4,6H2,1H3
InChIKeyPSYMIBODNPJHHB-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.63
Rot. Bonds5

About 3-pentoxy-3H-furan-2-one

3-pentoxy-3H-furan-2-one (PubChem CID 70212085) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 3-pentoxy-3H-furan-2-one.

Molecular Properties

Compound Name3-pentoxy-3H-furan-2-one
PubChem CID70212085
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name3-pentoxy-3H-furan-2-one
SMILESCCCCCOC1C=COC1=O
InChIInChI=1S/C9H14O3/c1-2-3-4-6-11-8-5-7-12-9(8)10/h5,7-8H,2-4,6H2,1H3
InChIKeyPSYMIBODNPJHHB-UHFFFAOYSA-N
XLogP1.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethyl-6-octoxycyclohexa-2,4-dien-1-one
CID 141339516
3-tridecyl-3H-furan-2-one
CID 19433188
5-nonoxycyclopenta-1,3-diene
CID 172821169
(3R)-3-octoxyoxolan-2-one
CID 67237543
(4R)-4-nonoxyoxetan-2-one
CID 175477617
5-pentoxybicyclo[2.2.1]hept-2-en-7-one
CID 172805896
4-pentoxypiperidine
CID 43167830
2,6-dibutoxy-4-methylcyclohexa-2,4-dien-1-one
CID 70485480
6-pentoxyoxan-2-one
CID 70139952
2-butoxy-2H-pyran-5-one
CID 21397289
5-butoxy-6-sulfinylcyclohexa-1,3-diene
CID 174293849
14,14-dichloro-3,11-diheptoxydispiro[5.1.58.16]tetradecan-7-one
CID 18633597

Frequently Asked Questions

What is the IUPAC name of 3-pentoxy-3H-furan-2-one?
The IUPAC name of 3-pentoxy-3H-furan-2-one (CID 70212085) is 3-pentoxy-3H-furan-2-one.
What is the SMILES notation for 3-pentoxy-3H-furan-2-one?
The canonical SMILES for 3-pentoxy-3H-furan-2-one is CCCCCOC1C=COC1=O.
What is the InChIKey of 3-pentoxy-3H-furan-2-one?
The InChIKey is PSYMIBODNPJHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-2-3-4-6-11-8-5-7-12-9(8)10/h5,7-8H,2-4,6H2,1H3.
What are the key properties of 3-pentoxy-3H-furan-2-one?
3-pentoxy-3H-furan-2-one has a molecular weight of 170.21 g/mol, XLogP of 1.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentoxy-3H-furan-2-one is sourced from PubChem (CID 70212085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).