(2S,3S)-2-pentyl-2,3-dihydrofuran-3-ol

C9H16O2 — CID 101076795

IUPAC(2S,3S)-2-pentyl-2,3-dihydrofuran-3-ol
SMILESCCCCC[C@@H]1OC=C[C@@H]1O
InChIInChI=1S/C9H16O2/c1-2-3-4-5-9-8(10)6-7-11-9/h6-10H,2-5H2,1H3/t8-,9-/m0/s1
InChIKeyUWCKJXDJKNNZIG-IUCAKERBSA-N
MW156.22 g/mol
LogP1.84
Rot. Bonds4

About (2S,3S)-2-pentyl-2,3-dihydrofuran-3-ol

(2S,3S)-2-pentyl-2,3-dihydrofuran-3-ol (PubChem CID 101076795) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (2S,3S)-2-pentyl-2,3-dihydrofuran-3-ol.

Molecular Properties

Compound Name(2S,3S)-2-pentyl-2,3-dihydrofuran-3-ol
PubChem CID101076795
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(2S,3S)-2-pentyl-2,3-dihydrofuran-3-ol
SMILESCCCCC[C@@H]1OC=C[C@@H]1O
InChIInChI=1S/C9H16O2/c1-2-3-4-5-9-8(10)6-7-11-9/h6-10H,2-5H2,1H3/t8-,9-/m0/s1
InChIKeyUWCKJXDJKNNZIG-IUCAKERBSA-N
XLogP1.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R)-2-pentyl-2,3-dihydrofuran-3-ol
CID 10702068
2-hexyl-3-pentadecyloxirane
CID 21447526
(2S,3S)-2,3-dioctyloxirane
CID 71399050
(2S,3R)-2-nonyl-3-octyloxirane
CID 169439821
2-heptyl-3-octyloxirane
CID 57269313
2-butyl-3-undecyloxirane
CID 88518775
2-[(2S,3S)-3-pentyloxiran-2-yl]ethanol
CID 102157766
[(2R,3S)-3-pentyloxiran-2-yl]methanol
CID 11344086
3-(3-pentyloxiran-2-yl)propan-1-ol
CID 18506419
9-(3-heptyloxiran-2-yl)nonan-1-ol
CID 102117929
4-[(2S,3R)-3-decyloxiran-2-yl]butan-1-ol
CID 170849392
[(2S,3S)-3-heptyloxiran-2-yl]methanol
CID 11019334

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-pentyl-2,3-dihydrofuran-3-ol?
The IUPAC name of (2S,3S)-2-pentyl-2,3-dihydrofuran-3-ol (CID 101076795) is (2S,3S)-2-pentyl-2,3-dihydrofuran-3-ol.
What is the SMILES notation for (2S,3S)-2-pentyl-2,3-dihydrofuran-3-ol?
The canonical SMILES for (2S,3S)-2-pentyl-2,3-dihydrofuran-3-ol is CCCCC[C@@H]1OC=C[C@@H]1O.
What is the InChIKey of (2S,3S)-2-pentyl-2,3-dihydrofuran-3-ol?
The InChIKey is UWCKJXDJKNNZIG-IUCAKERBSA-N. The full InChI is InChI=1S/C9H16O2/c1-2-3-4-5-9-8(10)6-7-11-9/h6-10H,2-5H2,1H3/t8-,9-/m0/s1.
What are the key properties of (2S,3S)-2-pentyl-2,3-dihydrofuran-3-ol?
(2S,3S)-2-pentyl-2,3-dihydrofuran-3-ol has a molecular weight of 156.22 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-pentyl-2,3-dihydrofuran-3-ol is sourced from PubChem (CID 101076795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).