acetic acid;1-(oxolan-2-yl)pentan-3-ol

C11H22O4 — CID 57353713

IUPACacetic acid;1-(oxolan-2-yl)pentan-3-ol
SMILESCC(=O)O.CCC(O)CCC1CCCO1
InChIInChI=1S/C9H18O2.C2H4O2/c1-2-8(10)5-6-9-4-3-7-11-9;1-2(3)4/h8-10H,2-7H2,1H3;1H3,(H,3,4)
InChIKeyDWPDUFPSYDSBPO-UHFFFAOYSA-N
MW218.29 g/mol
LogP1.81
Rot. Bonds4

About acetic acid;1-(oxolan-2-yl)pentan-3-ol

acetic acid;1-(oxolan-2-yl)pentan-3-ol (PubChem CID 57353713) has the molecular formula C11H22O4 and a molecular weight of 218.29 g/mol. Its IUPAC name is acetic acid;1-(oxolan-2-yl)pentan-3-ol.

Molecular Properties

Compound Nameacetic acid;1-(oxolan-2-yl)pentan-3-ol
PubChem CID57353713
Molecular FormulaC11H22O4
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Nameacetic acid;1-(oxolan-2-yl)pentan-3-ol
SMILESCC(=O)O.CCC(O)CCC1CCCO1
InChIInChI=1S/C9H18O2.C2H4O2/c1-2-8(10)5-6-9-4-3-7-11-9;1-2(3)4/h8-10H,2-7H2,1H3;1H3,(H,3,4)
InChIKeyDWPDUFPSYDSBPO-UHFFFAOYSA-N
XLogP1.81
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-4-(oxolan-2-yl)butanoic acid
CID 65161630
4-methyl-1-(oxolan-2-yl)hexan-3-ol
CID 65162291
1-(oxolan-2-yl)heptane-3,4-diol
CID 103454796
2,3-dimethyl-5-(oxolan-2-yl)pentanoic acid
CID 81008948
1-(oxolan-2-yl)pentan-3-amine
CID 62549637
4-methyl-2-[2-(oxolan-2-yl)ethyl]pentanoic acid
CID 65162425
1-(2-methylpropylsulfanyl)-4-(oxolan-2-yl)butan-2-ol
CID 65167329
2-(oxolan-2-yl)ethanol;propan-2-one
CID 70356947
4,4-dimethyl-1-(oxolan-2-yl)hexan-3-ol
CID 115809388
4-(oxolan-2-yl)-1-phenylbutan-2-ol
CID 65162186
(2R)-4-[(2R)-oxan-2-yl]butan-2-ol
CID 11171126
1-cyclopentyl-4-(oxan-2-yl)butan-2-ol
CID 115789825

Frequently Asked Questions

What is the IUPAC name of acetic acid;1-(oxolan-2-yl)pentan-3-ol?
The IUPAC name of acetic acid;1-(oxolan-2-yl)pentan-3-ol (CID 57353713) is acetic acid;1-(oxolan-2-yl)pentan-3-ol.
What is the SMILES notation for acetic acid;1-(oxolan-2-yl)pentan-3-ol?
The canonical SMILES for acetic acid;1-(oxolan-2-yl)pentan-3-ol is CC(=O)O.CCC(O)CCC1CCCO1.
What is the InChIKey of acetic acid;1-(oxolan-2-yl)pentan-3-ol?
The InChIKey is DWPDUFPSYDSBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2.C2H4O2/c1-2-8(10)5-6-9-4-3-7-11-9;1-2(3)4/h8-10H,2-7H2,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;1-(oxolan-2-yl)pentan-3-ol?
acetic acid;1-(oxolan-2-yl)pentan-3-ol has a molecular weight of 218.29 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1-(oxolan-2-yl)pentan-3-ol is sourced from PubChem (CID 57353713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).