4-methyl-3-(oxan-3-yl)pentan-2-ol

C11H22O2 — CID 107137352

IUPAC4-methyl-3-(oxan-3-yl)pentan-2-ol
SMILESCC(C)C(C(C)O)C1CCCOC1
InChIInChI=1S/C11H22O2/c1-8(2)11(9(3)12)10-5-4-6-13-7-10/h8-12H,4-7H2,1-3H3
InChIKeyOARKGCIOUXMQQD-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.07
Rot. Bonds3

About 4-methyl-3-(oxan-3-yl)pentan-2-ol

4-methyl-3-(oxan-3-yl)pentan-2-ol (PubChem CID 107137352) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 4-methyl-3-(oxan-3-yl)pentan-2-ol.

Molecular Properties

Compound Name4-methyl-3-(oxan-3-yl)pentan-2-ol
PubChem CID107137352
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name4-methyl-3-(oxan-3-yl)pentan-2-ol
SMILESCC(C)C(C(C)O)C1CCCOC1
InChIInChI=1S/C11H22O2/c1-8(2)11(9(3)12)10-5-4-6-13-7-10/h8-12H,4-7H2,1-3H3
InChIKeyOARKGCIOUXMQQD-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

Tetrahydro-4-methyl-2-(2-methylpropyl)-2H-pyran-4-ol
CID 3017432
2-Isobutyl-4-methyltetrahydropyran-4-ol, (2R,4R)-
CID 12104426
(2,2-Dimethyloxan-4-yl)methanol
CID 51072184
[(2R,4r,6S)-2,6-dimethyloxan-4-yl]methanol
CID 67078164
(2,2,6,6-tetramethyl-tetrahydro-2H-pyran-4-yl)methanol
CID 67323065
3-(Propan-2-yl)oxan-4-ol
CID 106471202
(2S,8S)-5-Isopropylnonane-2,8-diol
CID 135390954
2-Isobutyl-4-methyltetrahydropyran-4-ol, (2S,4S)-
CID 12104424
2-Isobutyl-4-methyltetrahydropyran-4-ol, (2R,4S)-
CID 12104425
5-(1-Methylethyl)-2,8-nonanediol
CID 21498028
(2-(Propan-2-yl)oxan-4-yl)methanol
CID 65919175
1-(2-Methyloxan-4-yl)ethan-1-ol
CID 66439369

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(oxan-3-yl)pentan-2-ol?
The IUPAC name of 4-methyl-3-(oxan-3-yl)pentan-2-ol (CID 107137352) is 4-methyl-3-(oxan-3-yl)pentan-2-ol.
What is the SMILES notation for 4-methyl-3-(oxan-3-yl)pentan-2-ol?
The canonical SMILES for 4-methyl-3-(oxan-3-yl)pentan-2-ol is CC(C)C(C(C)O)C1CCCOC1.
What is the InChIKey of 4-methyl-3-(oxan-3-yl)pentan-2-ol?
The InChIKey is OARKGCIOUXMQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-8(2)11(9(3)12)10-5-4-6-13-7-10/h8-12H,4-7H2,1-3H3.
What are the key properties of 4-methyl-3-(oxan-3-yl)pentan-2-ol?
4-methyl-3-(oxan-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 4-methyl-3-(oxan-3-yl)pentan-2-ol is sourced from PubChem (CID 107137352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).