[2-methyl-3-(3-methylbutan-2-yl)oxolan-3-yl]methanol

C11H22O2 — CID 130731474

IUPAC[2-methyl-3-(3-methylbutan-2-yl)oxolan-3-yl]methanol
SMILESCC(C)C(C)C1(CO)CCOC1C
InChIInChI=1S/C11H22O2/c1-8(2)9(3)11(7-12)5-6-13-10(11)4/h8-10,12H,5-7H2,1-4H3
InChIKeyJBRXKOWYOFIBIY-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.07
Rot. Bonds3

About [2-methyl-3-(3-methylbutan-2-yl)oxolan-3-yl]methanol

[2-methyl-3-(3-methylbutan-2-yl)oxolan-3-yl]methanol (PubChem CID 130731474) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is [2-methyl-3-(3-methylbutan-2-yl)oxolan-3-yl]methanol.

Molecular Properties

Compound Name[2-methyl-3-(3-methylbutan-2-yl)oxolan-3-yl]methanol
PubChem CID130731474
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name[2-methyl-3-(3-methylbutan-2-yl)oxolan-3-yl]methanol
SMILESCC(C)C(C)C1(CO)CCOC1C
InChIInChI=1S/C11H22O2/c1-8(2)9(3)11(7-12)5-6-13-10(11)4/h8-10,12H,5-7H2,1-4H3
InChIKeyJBRXKOWYOFIBIY-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

[3-(hydroxymethyl)-2-methyloxolan-3-yl]methanol
CID 130490555
3-(chloromethyl)-2-methyl-3-pentan-2-yloxolane
CID 107893311
[3-(2-ethylbutyl)-2-methyloxolan-3-yl]methanol
CID 114535596
3-(2-hydroxyethyl)-2-methyloxolane-3-carboxylic acid
CID 114533650
2-methyl-4-(3-methylbutan-2-yl)oxan-4-ol
CID 126999258
4-(hydroxymethyl)-2-propan-2-yloxan-4-ol
CID 82713696
2-methyl-3-(3-methylbutyl)oxolane-3-carboxylic acid
CID 114533698
[2-(3-methylbutan-2-yl)-2-bicyclo[2.2.1]heptanyl]methanol
CID 130706865
(3-hexyl-2-methyloxolan-3-yl)methanol
CID 114535546
3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]propanoic acid
CID 106101058
[(3aS,5R,7aR)-5-propan-2-yl-3,4,5,6,7,7a-hexahydro-2H-1-benzofuran-3a-yl]methanol
CID 125458736
[3-(3-methoxypropyl)-2-methyloxolan-3-yl]methanol
CID 114535558

Frequently Asked Questions

What is the IUPAC name of [2-methyl-3-(3-methylbutan-2-yl)oxolan-3-yl]methanol?
The IUPAC name of [2-methyl-3-(3-methylbutan-2-yl)oxolan-3-yl]methanol (CID 130731474) is [2-methyl-3-(3-methylbutan-2-yl)oxolan-3-yl]methanol.
What is the SMILES notation for [2-methyl-3-(3-methylbutan-2-yl)oxolan-3-yl]methanol?
The canonical SMILES for [2-methyl-3-(3-methylbutan-2-yl)oxolan-3-yl]methanol is CC(C)C(C)C1(CO)CCOC1C.
What is the InChIKey of [2-methyl-3-(3-methylbutan-2-yl)oxolan-3-yl]methanol?
The InChIKey is JBRXKOWYOFIBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-8(2)9(3)11(7-12)5-6-13-10(11)4/h8-10,12H,5-7H2,1-4H3.
What are the key properties of [2-methyl-3-(3-methylbutan-2-yl)oxolan-3-yl]methanol?
[2-methyl-3-(3-methylbutan-2-yl)oxolan-3-yl]methanol 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 [2-methyl-3-(3-methylbutan-2-yl)oxolan-3-yl]methanol is sourced from PubChem (CID 130731474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).