ethane;3-methyl-4-(2-methylpropyl)oxolane

C11H24O — CID 142538144

IUPACethane;3-methyl-4-(2-methylpropyl)oxolane
SMILESCC.CC(C)CC1COCC1C
InChIInChI=1S/C9H18O.C2H6/c1-7(2)4-9-6-10-5-8(9)3;1-2/h7-9H,4-6H2,1-3H3;1-2H3
InChIKeyQQAFFIGGAZEXHA-UHFFFAOYSA-N
MW172.31 g/mol
LogP3.34
Rot. Bonds2

About ethane;3-methyl-4-(2-methylpropyl)oxolane

ethane;3-methyl-4-(2-methylpropyl)oxolane (PubChem CID 142538144) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is ethane;3-methyl-4-(2-methylpropyl)oxolane.

Molecular Properties

Compound Nameethane;3-methyl-4-(2-methylpropyl)oxolane
PubChem CID142538144
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Nameethane;3-methyl-4-(2-methylpropyl)oxolane
SMILESCC.CC(C)CC1COCC1C
InChIInChI=1S/C9H18O.C2H6/c1-7(2)4-9-6-10-5-8(9)3;1-2/h7-9H,4-6H2,1-3H3;1-2H3
InChIKeyQQAFFIGGAZEXHA-UHFFFAOYSA-N
XLogP3.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.31
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Hexane, 1-(hexyloxy)-3-methyl-
CID 537316
Hexane, 1-(hexyloxy)-4-methyl-
CID 545916
2,2-Diethyl-tetrahydro-furan
CID 12476217
1-Ethoxy-3-ethyl-5-methylhexane
CID 231562
2-i-Propyl-3,3-dimethyl tetrahydrofuran
CID 534776
3-Propyltetrahydrofuran
CID 12508258
2,3,4,5-Tetramethyltetrahydrofuran
CID 22022762
3-Isobutyltetrahydrofuran
CID 22975333
3,5-Dimethylhexyl methyl ether
CID 87509083
(2S,4S)-2-methyl-4-propan-2-yloxolane
CID 134861879
3-(1,1,1-Trifluoro-3-methylbutan-2-yl)oxolane
CID 118301708
3-(1-Fluoro-3-methylbutan-2-yl)oxolane
CID 118303927

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-4-(2-methylpropyl)oxolane?
The IUPAC name of ethane;3-methyl-4-(2-methylpropyl)oxolane (CID 142538144) is ethane;3-methyl-4-(2-methylpropyl)oxolane.
What is the SMILES notation for ethane;3-methyl-4-(2-methylpropyl)oxolane?
The canonical SMILES for ethane;3-methyl-4-(2-methylpropyl)oxolane is CC.CC(C)CC1COCC1C.
What is the InChIKey of ethane;3-methyl-4-(2-methylpropyl)oxolane?
The InChIKey is QQAFFIGGAZEXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O.C2H6/c1-7(2)4-9-6-10-5-8(9)3;1-2/h7-9H,4-6H2,1-3H3;1-2H3.
What are the key properties of ethane;3-methyl-4-(2-methylpropyl)oxolane?
ethane;3-methyl-4-(2-methylpropyl)oxolane has a molecular weight of 172.31 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-4-(2-methylpropyl)oxolane is sourced from PubChem (CID 142538144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).