3-(3-methoxy-3-methylbutyl)oxan-4-ol

C11H22O3 — CID 106471274

IUPAC3-(3-methoxy-3-methylbutyl)oxan-4-ol
SMILESCOC(C)(C)CCC1COCCC1O
InChIInChI=1S/C11H22O3/c1-11(2,13-3)6-4-9-8-14-7-5-10(9)12/h9-10,12H,4-8H2,1-3H3
InChIKeyAFFWYODDNNYWJE-UHFFFAOYSA-N
MW202.29 g/mol
LogP1.59
Rot. Bonds4

About 3-(3-methoxy-3-methylbutyl)oxan-4-ol

3-(3-methoxy-3-methylbutyl)oxan-4-ol (PubChem CID 106471274) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 3-(3-methoxy-3-methylbutyl)oxan-4-ol.

Molecular Properties

Compound Name3-(3-methoxy-3-methylbutyl)oxan-4-ol
PubChem CID106471274
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name3-(3-methoxy-3-methylbutyl)oxan-4-ol
SMILESCOC(C)(C)CCC1COCCC1O
InChIInChI=1S/C11H22O3/c1-11(2,13-3)6-4-9-8-14-7-5-10(9)12/h9-10,12H,4-8H2,1-3H3
InChIKeyAFFWYODDNNYWJE-UHFFFAOYSA-N
XLogP1.59
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,7-Dimethyl-7-methoxyoctan-2-ol
CID 162053
Tetrahydro-4-methyl-2-(2-methylpropyl)-2H-pyran-4-ol
CID 3017432
2H-Pyran-4-ol, 2-(1-ethylpropyl)tetrahydro-4-methyl-
CID 44464839
2-Isobutyl-4-methyltetrahydropyran-4-ol, (2R,4R)-
CID 12104426
2H-Pyran-2,5-dimethanol, tetrahydro-2,6,6-trimethyl-
CID 24844132
(6,6-Dimethyltetrahydro-2H-pyran-3-yl)methanol
CID 90305495
CID 139583645
CID 139583645
4-Methyl-2-propyltetrahydro-2h-pyran-4-ol
CID 12236981
1,9-Dioxaspiro[5.5]undecan-4-ol
CID 64104333
2-Isobutyl-4-methyltetrahydropyran-4-ol, (2S,4S)-
CID 12104424
2-Isobutyl-4-methyltetrahydropyran-4-ol, (2R,4S)-
CID 12104425
(2-(Propan-2-yl)oxan-4-yl)methanol
CID 65919175

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-3-methylbutyl)oxan-4-ol?
The IUPAC name of 3-(3-methoxy-3-methylbutyl)oxan-4-ol (CID 106471274) is 3-(3-methoxy-3-methylbutyl)oxan-4-ol.
What is the SMILES notation for 3-(3-methoxy-3-methylbutyl)oxan-4-ol?
The canonical SMILES for 3-(3-methoxy-3-methylbutyl)oxan-4-ol is COC(C)(C)CCC1COCCC1O.
What is the InChIKey of 3-(3-methoxy-3-methylbutyl)oxan-4-ol?
The InChIKey is AFFWYODDNNYWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-11(2,13-3)6-4-9-8-14-7-5-10(9)12/h9-10,12H,4-8H2,1-3H3.
What are the key properties of 3-(3-methoxy-3-methylbutyl)oxan-4-ol?
3-(3-methoxy-3-methylbutyl)oxan-4-ol has a molecular weight of 202.29 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-3-methylbutyl)oxan-4-ol is sourced from PubChem (CID 106471274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).