3-tert-butyl-2-methyloxolane;methane

C10H22O — CID 158649776

IUPAC3-tert-butyl-2-methyloxolane;methane
SMILESC.CC1OCCC1C(C)(C)C
InChIInChI=1S/C9H18O.CH4/c1-7-8(5-6-10-7)9(2,3)4;/h7-8H,5-6H2,1-4H3;1H4
InChIKeyIBKCQFMTDYPSCT-UHFFFAOYSA-N
MW158.28 g/mol
LogP3.09
Rot. Bonds

About 3-tert-butyl-2-methyloxolane;methane

3-tert-butyl-2-methyloxolane;methane (PubChem CID 158649776) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is 3-tert-butyl-2-methyloxolane;methane.

Molecular Properties

Compound Name3-tert-butyl-2-methyloxolane;methane
PubChem CID158649776
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Name3-tert-butyl-2-methyloxolane;methane
SMILESC.CC1OCCC1C(C)(C)C
InChIInChI=1S/C9H18O.CH4/c1-7-8(5-6-10-7)9(2,3)4;/h7-8H,5-6H2,1-4H3;1H4
InChIKeyIBKCQFMTDYPSCT-UHFFFAOYSA-N
XLogP3.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.28
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;2-methyl-3-(trifluoromethyl)oxolane
CID 170752702
2,3-ditert-butyloxolane
CID 58782145
(3R)-2-methyloxolan-3-ol
CID 89032581
methanol;(2S,3R)-2,3,4-trimethyloxane
CID 145399685
3-tert-butyl-2-prop-2-enyloxolane
CID 15502844
(3R)-2,3-dimethyl-1,4-dioxane
CID 134576356
(2S,3S,4R)-4-methoxy-2-methyloxan-3-ol
CID 66553643
3-tert-butyl-2-methyl-6-methylideneoxane
CID 23598660
2-methyloxolan-3-ol;silicic acid
CID 70548601
(2R,3S)-3-chloro-2-methyloxolane
CID 13296748
N-(3,3-dimethylbutyl)-2-methyloxolan-3-amine
CID 115336509
2,2-dimethyl-N-(2-methyloxolan-3-yl)propanamide
CID 82736324

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-methyloxolane;methane?
The IUPAC name of 3-tert-butyl-2-methyloxolane;methane (CID 158649776) is 3-tert-butyl-2-methyloxolane;methane.
What is the SMILES notation for 3-tert-butyl-2-methyloxolane;methane?
The canonical SMILES for 3-tert-butyl-2-methyloxolane;methane is C.CC1OCCC1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-2-methyloxolane;methane?
The InChIKey is IBKCQFMTDYPSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O.CH4/c1-7-8(5-6-10-7)9(2,3)4;/h7-8H,5-6H2,1-4H3;1H4.
What are the key properties of 3-tert-butyl-2-methyloxolane;methane?
3-tert-butyl-2-methyloxolane;methane has a molecular weight of 158.28 g/mol, XLogP of 3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-methyloxolane;methane is sourced from PubChem (CID 158649776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).