3-tert-butyl-5-methyl-2-methylideneoxolane

C10H18O — CID 58741998

IUPAC3-tert-butyl-5-methyl-2-methylideneoxolane
SMILESC=C1OC(C)CC1C(C)(C)C
InChIInChI=1S/C10H18O/c1-7-6-9(8(2)11-7)10(3,4)5/h7,9H,2,6H2,1,3-5H3
InChIKeyQFQDYGQUEZRIMS-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.97
Rot. Bonds

About 3-tert-butyl-5-methyl-2-methylideneoxolane

3-tert-butyl-5-methyl-2-methylideneoxolane (PubChem CID 58741998) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 3-tert-butyl-5-methyl-2-methylideneoxolane.

Molecular Properties

Compound Name3-tert-butyl-5-methyl-2-methylideneoxolane
PubChem CID58741998
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name3-tert-butyl-5-methyl-2-methylideneoxolane
SMILESC=C1OC(C)CC1C(C)(C)C
InChIInChI=1S/C10H18O/c1-7-6-9(8(2)11-7)10(3,4)5/h7,9H,2,6H2,1,3-5H3
InChIKeyQFQDYGQUEZRIMS-UHFFFAOYSA-N
XLogP2.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-Tert-butyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5,5-dimethylhex-1-ene
CID 164160468
(4S)-3,3-dimethyl-4-prop-1-en-2-yloxolane
CID 162397566
3,3-Dimethyl-4-prop-1-en-2-yloxolane
CID 176435358
3-Tert-butyl-2-methyl-6-methylideneoxane
CID 23598660
2,2,3,4,4-Pentamethyl-5-methylideneoxolane
CID 54029251
4-(2,2-Dimethylbutyl)-2-methylideneoxolane;bis(yttrium)
CID 58763811
1-Propan-2-yloxyethenylcyclopentane
CID 59657420
2,3,3-Trimethyl-5-methylideneoxolane
CID 67949104
3,3,5-Trimethyl-2-methylideneoxolane
CID 67949108
(3S,4S)-5-ethyl-2,3,4-trimethyl-3-prop-2-enyloxolane
CID 68074358
1,2-Dimethyl-5-methylidene-6-oxaspiro[2.4]heptane
CID 68101518
2,3-Ditert-butyl-5-methylideneoxolane
CID 68259000

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-methyl-2-methylideneoxolane?
The IUPAC name of 3-tert-butyl-5-methyl-2-methylideneoxolane (CID 58741998) is 3-tert-butyl-5-methyl-2-methylideneoxolane.
What is the SMILES notation for 3-tert-butyl-5-methyl-2-methylideneoxolane?
The canonical SMILES for 3-tert-butyl-5-methyl-2-methylideneoxolane is C=C1OC(C)CC1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-5-methyl-2-methylideneoxolane?
The InChIKey is QFQDYGQUEZRIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-7-6-9(8(2)11-7)10(3,4)5/h7,9H,2,6H2,1,3-5H3.
What are the key properties of 3-tert-butyl-5-methyl-2-methylideneoxolane?
3-tert-butyl-5-methyl-2-methylideneoxolane has a molecular weight of 154.25 g/mol, XLogP of 2.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-methyl-2-methylideneoxolane is sourced from PubChem (CID 58741998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).