3-methyl-2-[2-(3-methyloxolan-2-yl)propan-2-yl]oxolane

C13H24O2 — CID 18363640

IUPAC3-methyl-2-[2-(3-methyloxolan-2-yl)propan-2-yl]oxolane
SMILESCC1CCOC1C(C)(C)C1OCCC1C
InChIInChI=1S/C13H24O2/c1-9-5-7-14-11(9)13(3,4)12-10(2)6-8-15-12/h9-12H,5-8H2,1-4H3
InChIKeyFSANKHXKXYOUMR-UHFFFAOYSA-N
MW212.33 g/mol
LogP2.86
Rot. Bonds2

About 3-methyl-2-[2-(3-methyloxolan-2-yl)propan-2-yl]oxolane

3-methyl-2-[2-(3-methyloxolan-2-yl)propan-2-yl]oxolane (PubChem CID 18363640) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 3-methyl-2-[2-(3-methyloxolan-2-yl)propan-2-yl]oxolane.

Molecular Properties

Compound Name3-methyl-2-[2-(3-methyloxolan-2-yl)propan-2-yl]oxolane
PubChem CID18363640
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name3-methyl-2-[2-(3-methyloxolan-2-yl)propan-2-yl]oxolane
SMILESCC1CCOC1C(C)(C)C1OCCC1C
InChIInChI=1S/C13H24O2/c1-9-5-7-14-11(9)13(3,4)12-10(2)6-8-15-12/h9-12H,5-8H2,1-4H3
InChIKeyFSANKHXKXYOUMR-UHFFFAOYSA-N
XLogP2.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2'-(1-Methylethylidene)bis(tetrahydrofuran)
CID 551484
Furan, 2,2'-(1-methylethylidene)bis(tetrahydro-
CID 3086302
2-Butyl-3-(methoxymethyl)oxolane
CID 129773554
2-t-Butyl-7-oxabicyclo[2,2,1]-heptane
CID 23594586
2-Methyl-5-[(5-methyloxolan-2-yl)-(oxolan-2-yl)methyl]oxolane
CID 135085110
2-Tert-butyl-5-(2,2-dimethylpropyl)-3-fluoro-4-methyloxolane
CID 59848424
4-Methoxy-2-(2-methylbutyl)oxolane
CID 59491019
4-[2-Methyl-2-(oxolan-3-yl)propyl]-2-propan-2-yloxolane
CID 154979624
2-[2,4-Dimethyl-4-(oxolan-3-yl)pentan-2-yl]oxolane
CID 167150900
3-Methoxymethyl-2-pentyltetrahydrofuran
CID 129773536
2,5-Dimethyl-3-(3-methylbutyl)-tetrahydrofuran
CID 91749695
(3R,4S,5S,9R)-4,9-dimethoxy-3-methylspiro[4.4]nonane
CID 10608031

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[2-(3-methyloxolan-2-yl)propan-2-yl]oxolane?
The IUPAC name of 3-methyl-2-[2-(3-methyloxolan-2-yl)propan-2-yl]oxolane (CID 18363640) is 3-methyl-2-[2-(3-methyloxolan-2-yl)propan-2-yl]oxolane.
What is the SMILES notation for 3-methyl-2-[2-(3-methyloxolan-2-yl)propan-2-yl]oxolane?
The canonical SMILES for 3-methyl-2-[2-(3-methyloxolan-2-yl)propan-2-yl]oxolane is CC1CCOC1C(C)(C)C1OCCC1C.
What is the InChIKey of 3-methyl-2-[2-(3-methyloxolan-2-yl)propan-2-yl]oxolane?
The InChIKey is FSANKHXKXYOUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-9-5-7-14-11(9)13(3,4)12-10(2)6-8-15-12/h9-12H,5-8H2,1-4H3.
What are the key properties of 3-methyl-2-[2-(3-methyloxolan-2-yl)propan-2-yl]oxolane?
3-methyl-2-[2-(3-methyloxolan-2-yl)propan-2-yl]oxolane has a molecular weight of 212.33 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[2-(3-methyloxolan-2-yl)propan-2-yl]oxolane is sourced from PubChem (CID 18363640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).