ethane;methane;3-methyl-4-propyloxolane

C11H26O — CID 144611295

IUPACethane;methane;3-methyl-4-propyloxolane
SMILESC.CC.CCCC1COCC1C
InChIInChI=1S/C8H16O.C2H6.CH4/c1-3-4-8-6-9-5-7(8)2;1-2;/h7-8H,3-6H2,1-2H3;1-2H3;1H4
InChIKeyCTVSSFMKCCRGNP-UHFFFAOYSA-N
MW174.33 g/mol
LogP3.73
Rot. Bonds2

About ethane;methane;3-methyl-4-propyloxolane

ethane;methane;3-methyl-4-propyloxolane (PubChem CID 144611295) has the molecular formula C11H26O and a molecular weight of 174.33 g/mol. Its IUPAC name is ethane;methane;3-methyl-4-propyloxolane.

Molecular Properties

Compound Nameethane;methane;3-methyl-4-propyloxolane
PubChem CID144611295
Molecular FormulaC11H26O
Molecular Weight174.33 g/mol
Exact Mass174.20
IUPAC Nameethane;methane;3-methyl-4-propyloxolane
SMILESC.CC.CCCC1COCC1C
InChIInChI=1S/C8H16O.C2H6.CH4/c1-3-4-8-6-9-5-7(8)2;1-2;/h7-8H,3-6H2,1-2H3;1-2H3;1H4
InChIKeyCTVSSFMKCCRGNP-UHFFFAOYSA-N
XLogP3.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.33
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1-methyl-2-propylcyclopropane
CID 144710386
(3S,4R,5R)-3-ethyl-4,5-dimethyloxane
CID 118946155
(4-methyloxolan-3-yl)methanol
CID 53402099
[(3R,4S)-4-methyloxolan-3-yl]methanol
CID 95165244
ethane;3-methyl-4-(2-methylpropyl)oxolane
CID 142538144
3-ethyl-5-methyloxan-4-ol
CID 59103761
4-methyl-5-propyloxan-2-one
CID 89207971
trimethyl-[[(3R)-4-methyloxolan-3-yl]methyl]silane
CID 135056830
ethane;1,2,4-trimethyl-5-propylcyclohexane
CID 156835083
(3aR,6aR)-3-methyl-6-propyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 131969290
1,4-dimethyl-2-propylcyclopentane;ethane
CID 155717345
methyl 4-propyloxolane-3-carboxylate
CID 162735076

Frequently Asked Questions

What is the IUPAC name of ethane;methane;3-methyl-4-propyloxolane?
The IUPAC name of ethane;methane;3-methyl-4-propyloxolane (CID 144611295) is ethane;methane;3-methyl-4-propyloxolane.
What is the SMILES notation for ethane;methane;3-methyl-4-propyloxolane?
The canonical SMILES for ethane;methane;3-methyl-4-propyloxolane is C.CC.CCCC1COCC1C.
What is the InChIKey of ethane;methane;3-methyl-4-propyloxolane?
The InChIKey is CTVSSFMKCCRGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O.C2H6.CH4/c1-3-4-8-6-9-5-7(8)2;1-2;/h7-8H,3-6H2,1-2H3;1-2H3;1H4.
What are the key properties of ethane;methane;3-methyl-4-propyloxolane?
ethane;methane;3-methyl-4-propyloxolane has a molecular weight of 174.33 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;3-methyl-4-propyloxolane is sourced from PubChem (CID 144611295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).