1-(oxolan-3-yl)-2-propylpentan-1-ol

C12H24O2 — CID 115798272

IUPAC1-(oxolan-3-yl)-2-propylpentan-1-ol
SMILESCCCC(CCC)C(O)C1CCOC1
InChIInChI=1S/C12H24O2/c1-3-5-10(6-4-2)12(13)11-7-8-14-9-11/h10-13H,3-9H2,1-2H3
InChIKeyIIQJFWCFHWZRMW-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.60
Rot. Bonds6

About 1-(oxolan-3-yl)-2-propylpentan-1-ol

1-(oxolan-3-yl)-2-propylpentan-1-ol (PubChem CID 115798272) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 1-(oxolan-3-yl)-2-propylpentan-1-ol.

Molecular Properties

Compound Name1-(oxolan-3-yl)-2-propylpentan-1-ol
PubChem CID115798272
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name1-(oxolan-3-yl)-2-propylpentan-1-ol
SMILESCCCC(CCC)C(O)C1CCOC1
InChIInChI=1S/C12H24O2/c1-3-5-10(6-4-2)12(13)11-7-8-14-9-11/h10-13H,3-9H2,1-2H3
InChIKeyIIQJFWCFHWZRMW-UHFFFAOYSA-N
XLogP2.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-heptan-4-yloxolane
CID 162375259
3-(1-bromobutyl)oxolane
CID 83051784
1-(oxolan-3-yl)butan-1-amine
CID 63564938
1-(oxolan-3-yl)butan-1-amine;hydrate
CID 174673469
N-[1-(oxolan-3-yl)ethyl]hexan-3-amine
CID 115888979
2-(2-methylpentylamino)-1-(oxolan-3-yl)ethanol
CID 115907653
(1S)-1-[(3R)-oxolan-3-yl]ethanol
CID 95763789
3-ethylsulfanyl-1-(oxolan-3-yl)propan-1-ol
CID 116504528
3-(oxolan-3-yl)hexanenitrile
CID 142587151
2-[methyl(propyl)amino]-1-(oxolan-3-yl)ethanol
CID 104752489
2-(hexan-3-ylamino)-1-(oxan-4-yl)ethanol
CID 115906358
2-(hexan-2-ylamino)-1-(oxolan-3-yl)ethanol
CID 115890644

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)-2-propylpentan-1-ol?
The IUPAC name of 1-(oxolan-3-yl)-2-propylpentan-1-ol (CID 115798272) is 1-(oxolan-3-yl)-2-propylpentan-1-ol.
What is the SMILES notation for 1-(oxolan-3-yl)-2-propylpentan-1-ol?
The canonical SMILES for 1-(oxolan-3-yl)-2-propylpentan-1-ol is CCCC(CCC)C(O)C1CCOC1.
What is the InChIKey of 1-(oxolan-3-yl)-2-propylpentan-1-ol?
The InChIKey is IIQJFWCFHWZRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-3-5-10(6-4-2)12(13)11-7-8-14-9-11/h10-13H,3-9H2,1-2H3.
What are the key properties of 1-(oxolan-3-yl)-2-propylpentan-1-ol?
1-(oxolan-3-yl)-2-propylpentan-1-ol has a molecular weight of 200.32 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)-2-propylpentan-1-ol is sourced from PubChem (CID 115798272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).