3-cyclopropyl-1-(oxolan-2-yl)pentan-3-ol

C12H22O2 — CID 65161613

IUPAC3-cyclopropyl-1-(oxolan-2-yl)pentan-3-ol
SMILESCCC(O)(CCC1CCCO1)C1CC1
InChIInChI=1S/C12H22O2/c1-2-12(13,10-5-6-10)8-7-11-4-3-9-14-11/h10-11,13H,2-9H2,1H3
InChIKeyZYLSTPYVWPREPE-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.50
Rot. Bonds5

About 3-cyclopropyl-1-(oxolan-2-yl)pentan-3-ol

3-cyclopropyl-1-(oxolan-2-yl)pentan-3-ol (PubChem CID 65161613) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-cyclopropyl-1-(oxolan-2-yl)pentan-3-ol.

Molecular Properties

Compound Name3-cyclopropyl-1-(oxolan-2-yl)pentan-3-ol
PubChem CID65161613
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name3-cyclopropyl-1-(oxolan-2-yl)pentan-3-ol
SMILESCCC(O)(CCC1CCCO1)C1CC1
InChIInChI=1S/C12H22O2/c1-2-12(13,10-5-6-10)8-7-11-4-3-9-14-11/h10-11,13H,2-9H2,1H3
InChIKeyZYLSTPYVWPREPE-UHFFFAOYSA-N
XLogP2.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dimethyl-1-(oxolan-2-yl)hexan-3-ol
CID 65161696
2-cyclopropyl-2-methyl-4-(oxolan-2-yl)butanoic acid
CID 83148663
1-(oxolan-2-yl)-3-phenylpentan-3-ol
CID 65162332
1-(oxolan-2-yl)butane-2,2-diol
CID 141149277
2-ethyl-2-[3-(oxolan-2-yl)propyl]propane-1,3-diol
CID 79450832
3-ethyl-6-(oxolan-2-yl)hexan-3-amine
CID 65166782
1-methoxy-3-methyl-5-(oxolan-2-yl)pentan-3-ol
CID 65161751
2-(aminomethyl)-2-cyclopropyl-4-(oxolan-2-yl)butan-1-ol
CID 106506616
1-(tert-butylamino)-2-methyl-4-(oxolan-2-yl)butan-2-ol
CID 66037038
N,2-diethyl-2-methyl-4-(oxolan-2-yl)butan-1-amine
CID 65165209
N-tert-butyl-2,2-diethyl-4-(oxolan-2-yl)butan-1-amine
CID 65164933
3-methyl-6-(oxolan-2-yl)hexan-3-amine
CID 65166780

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(oxolan-2-yl)pentan-3-ol?
The IUPAC name of 3-cyclopropyl-1-(oxolan-2-yl)pentan-3-ol (CID 65161613) is 3-cyclopropyl-1-(oxolan-2-yl)pentan-3-ol.
What is the SMILES notation for 3-cyclopropyl-1-(oxolan-2-yl)pentan-3-ol?
The canonical SMILES for 3-cyclopropyl-1-(oxolan-2-yl)pentan-3-ol is CCC(O)(CCC1CCCO1)C1CC1.
What is the InChIKey of 3-cyclopropyl-1-(oxolan-2-yl)pentan-3-ol?
The InChIKey is ZYLSTPYVWPREPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-2-12(13,10-5-6-10)8-7-11-4-3-9-14-11/h10-11,13H,2-9H2,1H3.
What are the key properties of 3-cyclopropyl-1-(oxolan-2-yl)pentan-3-ol?
3-cyclopropyl-1-(oxolan-2-yl)pentan-3-ol has a molecular weight of 198.31 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(oxolan-2-yl)pentan-3-ol is sourced from PubChem (CID 65161613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).