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

C12H22O3 — CID 114535585

IUPAC[2-methyl-3-[2-(oxolan-2-yl)ethyl]oxolan-3-yl]methanol
SMILESCC1OCCC1(CO)CCC1CCCO1
InChIInChI=1S/C12H22O3/c1-10-12(9-13,6-8-14-10)5-4-11-3-2-7-15-11/h10-11,13H,2-9H2,1H3
InChIKeyJXECUIUUDJCWMA-UHFFFAOYSA-N
MW214.30 g/mol
LogP1.73
Rot. Bonds4

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

[2-methyl-3-[2-(oxolan-2-yl)ethyl]oxolan-3-yl]methanol (PubChem CID 114535585) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is [2-methyl-3-[2-(oxolan-2-yl)ethyl]oxolan-3-yl]methanol.

Molecular Properties

Compound Name[2-methyl-3-[2-(oxolan-2-yl)ethyl]oxolan-3-yl]methanol
PubChem CID114535585
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name[2-methyl-3-[2-(oxolan-2-yl)ethyl]oxolan-3-yl]methanol
SMILESCC1OCCC1(CO)CCC1CCCO1
InChIInChI=1S/C12H22O3/c1-10-12(9-13,6-8-14-10)5-4-11-3-2-7-15-11/h10-11,13H,2-9H2,1H3
InChIKeyJXECUIUUDJCWMA-UHFFFAOYSA-N
XLogP1.73
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[2-methyl-3-[2-(oxolan-2-yl)ethyl]oxolan-3-yl]methyl]propan-1-amine
CID 114535177
2-methyl-1-[2-(oxolan-2-yl)ethyl]cyclobutan-1-ol
CID 130554995
3-(chloromethyl)-2-methyl-3-(oxolan-2-ylmethyl)oxolane
CID 114535731
4-methyl-1-[2-(oxolan-2-yl)ethyl]cycloheptan-1-ol
CID 65166935
3-(chloromethyl)-2-cyclopropyl-3-[2-(oxolan-2-yl)ethyl]oxolane
CID 104510565
[2-cyclopropyl-3-[2-(oxolan-2-yl)ethyl]oxolan-3-yl]methanamine
CID 113420837
1-[2-(oxolan-2-yl)ethyl]cyclopentan-1-ol
CID 65162273
(3-hexyl-2-methyloxolan-3-yl)methanol
CID 114535546
1-[2-(oxolan-2-yl)ethyl]cycloheptan-1-ol
CID 65162275
[3-(3-methoxypropyl)-2-methyloxolan-3-yl]methanol
CID 114535558
2-methyl-3-(oxolan-2-ylmethyl)oxolane-3-carboxylic acid
CID 114533651
[4-butyl-1-[2-(oxolan-2-yl)ethyl]cyclohexyl]methanol
CID 66026294

Frequently Asked Questions

What is the IUPAC name of [2-methyl-3-[2-(oxolan-2-yl)ethyl]oxolan-3-yl]methanol?
The IUPAC name of [2-methyl-3-[2-(oxolan-2-yl)ethyl]oxolan-3-yl]methanol (CID 114535585) is [2-methyl-3-[2-(oxolan-2-yl)ethyl]oxolan-3-yl]methanol.
What is the SMILES notation for [2-methyl-3-[2-(oxolan-2-yl)ethyl]oxolan-3-yl]methanol?
The canonical SMILES for [2-methyl-3-[2-(oxolan-2-yl)ethyl]oxolan-3-yl]methanol is CC1OCCC1(CO)CCC1CCCO1.
What is the InChIKey of [2-methyl-3-[2-(oxolan-2-yl)ethyl]oxolan-3-yl]methanol?
The InChIKey is JXECUIUUDJCWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-10-12(9-13,6-8-14-10)5-4-11-3-2-7-15-11/h10-11,13H,2-9H2,1H3.
What are the key properties of [2-methyl-3-[2-(oxolan-2-yl)ethyl]oxolan-3-yl]methanol?
[2-methyl-3-[2-(oxolan-2-yl)ethyl]oxolan-3-yl]methanol has a molecular weight of 214.30 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-3-[2-(oxolan-2-yl)ethyl]oxolan-3-yl]methanol is sourced from PubChem (CID 114535585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).