3,4-dimethyl-2-(oxolan-3-yl)pentan-2-ol

C11H22O2 — CID 131113950

IUPAC3,4-dimethyl-2-(oxolan-3-yl)pentan-2-ol
SMILESCC(C)C(C)C(C)(O)C1CCOC1
InChIInChI=1S/C11H22O2/c1-8(2)9(3)11(4,12)10-5-6-13-7-10/h8-10,12H,5-7H2,1-4H3
InChIKeyGNKYMCVXVYFSAC-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.07
Rot. Bonds3

About 3,4-dimethyl-2-(oxolan-3-yl)pentan-2-ol

3,4-dimethyl-2-(oxolan-3-yl)pentan-2-ol (PubChem CID 131113950) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 3,4-dimethyl-2-(oxolan-3-yl)pentan-2-ol.

Molecular Properties

Compound Name3,4-dimethyl-2-(oxolan-3-yl)pentan-2-ol
PubChem CID131113950
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name3,4-dimethyl-2-(oxolan-3-yl)pentan-2-ol
SMILESCC(C)C(C)C(C)(O)C1CCOC1
InChIInChI=1S/C11H22O2/c1-8(2)9(3)11(4,12)10-5-6-13-7-10/h8-10,12H,5-7H2,1-4H3
InChIKeyGNKYMCVXVYFSAC-UHFFFAOYSA-N
XLogP2.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-3,4-dimethylpentan-2-ol
CID 130647257
3-methyl-2-(oxetan-3-yl)butan-2-ol
CID 176651035
2-(oxolan-3-yl)propane-2-thiol
CID 126657698
3-methoxy-3-methyl-2-(oxolan-3-yl)butan-2-ol
CID 130488152
2,4-dimethyl-3-(oxan-4-yl)pentan-3-ol
CID 126978853
3-tert-butyloxolane;ethane;propan-2-ylcyclobutane
CID 160519713
4-amino-3-methyl-2-(oxan-4-yl)butan-2-ol
CID 105442753
5-methoxy-5-methyl-2-(oxolan-3-yl)hexan-2-ol
CID 103035277
1-(4-chlorophenyl)-1-(oxolan-3-yl)ethanol
CID 63563407
2-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methylbutan-2-ol
CID 79899451
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(oxolan-3-yl)ethanol
CID 114638462
N,2-dimethyl-2-(oxolan-3-yl)propan-1-amine;hydrochloride
CID 122240134

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-2-(oxolan-3-yl)pentan-2-ol?
The IUPAC name of 3,4-dimethyl-2-(oxolan-3-yl)pentan-2-ol (CID 131113950) is 3,4-dimethyl-2-(oxolan-3-yl)pentan-2-ol.
What is the SMILES notation for 3,4-dimethyl-2-(oxolan-3-yl)pentan-2-ol?
The canonical SMILES for 3,4-dimethyl-2-(oxolan-3-yl)pentan-2-ol is CC(C)C(C)C(C)(O)C1CCOC1.
What is the InChIKey of 3,4-dimethyl-2-(oxolan-3-yl)pentan-2-ol?
The InChIKey is GNKYMCVXVYFSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-8(2)9(3)11(4,12)10-5-6-13-7-10/h8-10,12H,5-7H2,1-4H3.
What are the key properties of 3,4-dimethyl-2-(oxolan-3-yl)pentan-2-ol?
3,4-dimethyl-2-(oxolan-3-yl)pentan-2-ol has a molecular weight of 186.29 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-2-(oxolan-3-yl)pentan-2-ol is sourced from PubChem (CID 131113950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).