3-(oxolan-3-ylmethyl)pentan-3-ol

C10H20O2 — CID 14783553

IUPAC3-(oxolan-3-ylmethyl)pentan-3-ol
SMILESCCC(O)(CC)CC1CCOC1
InChIInChI=1S/C10H20O2/c1-3-10(11,4-2)7-9-5-6-12-8-9/h9,11H,3-8H2,1-2H3
InChIKeyNTUSMTCGHCXLOF-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.96
Rot. Bonds4

About 3-(oxolan-3-ylmethyl)pentan-3-ol

3-(oxolan-3-ylmethyl)pentan-3-ol (PubChem CID 14783553) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 3-(oxolan-3-ylmethyl)pentan-3-ol.

Molecular Properties

Compound Name3-(oxolan-3-ylmethyl)pentan-3-ol
PubChem CID14783553
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name3-(oxolan-3-ylmethyl)pentan-3-ol
SMILESCCC(O)(CC)CC1CCOC1
InChIInChI=1S/C10H20O2/c1-3-10(11,4-2)7-9-5-6-12-8-9/h9,11H,3-8H2,1-2H3
InChIKeyNTUSMTCGHCXLOF-UHFFFAOYSA-N
XLogP1.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(oxolan-3-ylmethylamino)methyl]pentan-3-ol
CID 65105346
(3S)-3-(2,2-dimethylpropyl)oxolane
CID 139100718
3-ethyloxolane
CID 10996972
butane;3-ethyloxolane
CID 143075797
2-ethoxycarbonyl-2-(oxolan-3-ylmethyl)butanoic acid
CID 103974539
2,2-difluoro-3-(oxolan-3-yl)propanoic acid
CID 105438514
2-ethyl-2-(oxan-4-ylmethyl)propane-1,3-diol
CID 79450037
3-(2-hydroxy-2-methylbutyl)oxan-4-ol
CID 106471090
N-(oxolan-3-ylmethyl)propan-1-amine
CID 22355248
2-methyl-4-(oxolan-3-ylmethylamino)butan-2-ol
CID 79360440
2-methyl-2-(oxan-4-ylmethyl)butan-1-ol
CID 66058541
2-methyl-2-(oxolan-3-ylmethylamino)butanoic acid
CID 78969295

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-3-ylmethyl)pentan-3-ol?
The IUPAC name of 3-(oxolan-3-ylmethyl)pentan-3-ol (CID 14783553) is 3-(oxolan-3-ylmethyl)pentan-3-ol.
What is the SMILES notation for 3-(oxolan-3-ylmethyl)pentan-3-ol?
The canonical SMILES for 3-(oxolan-3-ylmethyl)pentan-3-ol is CCC(O)(CC)CC1CCOC1.
What is the InChIKey of 3-(oxolan-3-ylmethyl)pentan-3-ol?
The InChIKey is NTUSMTCGHCXLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-3-10(11,4-2)7-9-5-6-12-8-9/h9,11H,3-8H2,1-2H3.
What are the key properties of 3-(oxolan-3-ylmethyl)pentan-3-ol?
3-(oxolan-3-ylmethyl)pentan-3-ol has a molecular weight of 172.27 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-3-ylmethyl)pentan-3-ol is sourced from PubChem (CID 14783553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).