4-hydroxy-5-(1-hydroxyhexyl)oxolan-2-one

C10H18O4 — CID 90961672

IUPAC4-hydroxy-5-(1-hydroxyhexyl)oxolan-2-one
SMILESCCCCCC(O)C1OC(=O)CC1O
InChIInChI=1S/C10H18O4/c1-2-3-4-5-7(11)10-8(12)6-9(13)14-10/h7-8,10-12H,2-6H2,1H3
InChIKeyRNEPLBQKCJIWGX-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.60
Rot. Bonds5

About 4-hydroxy-5-(1-hydroxyhexyl)oxolan-2-one

4-hydroxy-5-(1-hydroxyhexyl)oxolan-2-one (PubChem CID 90961672) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 4-hydroxy-5-(1-hydroxyhexyl)oxolan-2-one.

Molecular Properties

Compound Name4-hydroxy-5-(1-hydroxyhexyl)oxolan-2-one
PubChem CID90961672
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name4-hydroxy-5-(1-hydroxyhexyl)oxolan-2-one
SMILESCCCCCC(O)C1OC(=O)CC1O
InChIInChI=1S/C10H18O4/c1-2-3-4-5-7(11)10-8(12)6-9(13)14-10/h7-8,10-12H,2-6H2,1H3
InChIKeyRNEPLBQKCJIWGX-UHFFFAOYSA-N
XLogP0.60
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Sorbitan monooctadecanoate
CID 16218600
Sorbitan monododecanoate
CID 11046239
Span 40
CID 16212480
2,3-Dihydroxypropyl 5-hydroxydodecanoate
CID 175553
2,3-Dihydroxypropyl 5-hydroxydecanoate
CID 5463954
D-Glucoheptono-1,4-lactone
CID 108880
Sorbitan monocaprylate
CID 90474014
[2-(3,4-Dihydroxyoxolan-2-yl)-2-hydroxyethyl] dodecanoate
CID 347468
Muricatacin
CID 3035657
3,6-Anhydro-1-O-octadecanoylhexitol
CID 3793749
CID 10016749
CID 10016749
L-Rhamnono-1,4-lactone
CID 5460219

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-(1-hydroxyhexyl)oxolan-2-one?
The IUPAC name of 4-hydroxy-5-(1-hydroxyhexyl)oxolan-2-one (CID 90961672) is 4-hydroxy-5-(1-hydroxyhexyl)oxolan-2-one.
What is the SMILES notation for 4-hydroxy-5-(1-hydroxyhexyl)oxolan-2-one?
The canonical SMILES for 4-hydroxy-5-(1-hydroxyhexyl)oxolan-2-one is CCCCCC(O)C1OC(=O)CC1O.
What is the InChIKey of 4-hydroxy-5-(1-hydroxyhexyl)oxolan-2-one?
The InChIKey is RNEPLBQKCJIWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-2-3-4-5-7(11)10-8(12)6-9(13)14-10/h7-8,10-12H,2-6H2,1H3.
What are the key properties of 4-hydroxy-5-(1-hydroxyhexyl)oxolan-2-one?
4-hydroxy-5-(1-hydroxyhexyl)oxolan-2-one has a molecular weight of 202.25 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-(1-hydroxyhexyl)oxolan-2-one is sourced from PubChem (CID 90961672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).