[4-[(2-methylpropan-2-yl)oxymethyl]oxan-4-yl]methanol

C11H22O3 — CID 171453952

IUPAC[4-[(2-methylpropan-2-yl)oxymethyl]oxan-4-yl]methanol
SMILESCC(C)(C)OCC1(CO)CCOCC1
InChIInChI=1S/C11H22O3/c1-10(2,3)14-9-11(8-12)4-6-13-7-5-11/h12H,4-9H2,1-3H3
InChIKeyJKJFKBSZZUHBRG-UHFFFAOYSA-N
MW202.29 g/mol
LogP1.59
Rot. Bonds3

About [4-[(2-methylpropan-2-yl)oxymethyl]oxan-4-yl]methanol

[4-[(2-methylpropan-2-yl)oxymethyl]oxan-4-yl]methanol (PubChem CID 171453952) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is [4-[(2-methylpropan-2-yl)oxymethyl]oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-[(2-methylpropan-2-yl)oxymethyl]oxan-4-yl]methanol
PubChem CID171453952
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name[4-[(2-methylpropan-2-yl)oxymethyl]oxan-4-yl]methanol
SMILESCC(C)(C)OCC1(CO)CCOCC1
InChIInChI=1S/C11H22O3/c1-10(2,3)14-9-11(8-12)4-6-13-7-5-11/h12H,4-9H2,1-3H3
InChIKeyJKJFKBSZZUHBRG-UHFFFAOYSA-N
XLogP1.59
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

(4-(Hydroxymethyl)oxan-4-yl)methanol
CID 19858285
(4-Isopropyltetrahydropyran-4-yl)methanol
CID 57797468
(4-Methyloxan-4-yl)methanol
CID 59708470
(4-Ethyloxan-4-yl)methanol
CID 66024089
[4-(Methoxymethyl)oxan-4-yl]methanol
CID 121599155
(4-Ethoxyoxan-4-yl)methanol
CID 124251899
rac-(1S,3R)-3-(tert-butoxy)-7-oxaspiro[3.5]nonan-1-ol
CID 132327506
(2-Ethoxy-1-ethylcyclopropyl)methanol
CID 13738752
2-Fluoro-1-(4-methyloxan-4-yl)ethan-1-ol
CID 165753536
(3,5,5-Trimethyloxolan-3-yl)methanol
CID 15365932
(3-Ethyl-5,5-dimethyloxolan-3-yl)methanol
CID 15365933
2-Ethyl-2-(2-methoxyethyl)propane-1,3-diol
CID 18716375

Frequently Asked Questions

What is the IUPAC name of [4-[(2-methylpropan-2-yl)oxymethyl]oxan-4-yl]methanol?
The IUPAC name of [4-[(2-methylpropan-2-yl)oxymethyl]oxan-4-yl]methanol (CID 171453952) is [4-[(2-methylpropan-2-yl)oxymethyl]oxan-4-yl]methanol.
What is the SMILES notation for [4-[(2-methylpropan-2-yl)oxymethyl]oxan-4-yl]methanol?
The canonical SMILES for [4-[(2-methylpropan-2-yl)oxymethyl]oxan-4-yl]methanol is CC(C)(C)OCC1(CO)CCOCC1.
What is the InChIKey of [4-[(2-methylpropan-2-yl)oxymethyl]oxan-4-yl]methanol?
The InChIKey is JKJFKBSZZUHBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-10(2,3)14-9-11(8-12)4-6-13-7-5-11/h12H,4-9H2,1-3H3.
What are the key properties of [4-[(2-methylpropan-2-yl)oxymethyl]oxan-4-yl]methanol?
[4-[(2-methylpropan-2-yl)oxymethyl]oxan-4-yl]methanol has a molecular weight of 202.29 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-methylpropan-2-yl)oxymethyl]oxan-4-yl]methanol is sourced from PubChem (CID 171453952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).