3-tert-butyl-2-prop-2-enyloxolane

C11H20O — CID 15502844

IUPAC3-tert-butyl-2-prop-2-enyloxolane
SMILESC=CCC1OCCC1C(C)(C)C
InChIInChI=1S/C11H20O/c1-5-6-10-9(7-8-12-10)11(2,3)4/h5,9-10H,1,6-8H2,2-4H3
InChIKeyKBDZEQVREFKZGW-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.01
Rot. Bonds2

About 3-tert-butyl-2-prop-2-enyloxolane

3-tert-butyl-2-prop-2-enyloxolane (PubChem CID 15502844) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 3-tert-butyl-2-prop-2-enyloxolane.

Molecular Properties

Compound Name3-tert-butyl-2-prop-2-enyloxolane
PubChem CID15502844
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name3-tert-butyl-2-prop-2-enyloxolane
SMILESC=CCC1OCCC1C(C)(C)C
InChIInChI=1S/C11H20O/c1-5-6-10-9(7-8-12-10)11(2,3)4/h5,9-10H,1,6-8H2,2-4H3
InChIKeyKBDZEQVREFKZGW-UHFFFAOYSA-N
XLogP3.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2-prop-2-enyloxolane
CID 13494562
(2S,3R)-2-prop-2-enyloxan-3-ol
CID 14917728
2,3-ditert-butyloxolane
CID 58782145
3-tert-butyl-2-methyloxolane;methane
CID 158649776
5-methoxy-6-prop-2-enyloxan-2-ol;propane-2,2-diol
CID 153365064
2-tert-butyl-5-prop-2-enyloxolane
CID 15502848
(2R,3S)-3-penta-1,4-dien-3-yloxy-2-prop-2-enyloxane
CID 132969009
2-prop-2-enyl-(213C)1,3-dioxolane
CID 173279538
(4R,5S)-2,2-ditert-butyl-4-propan-2-yl-5-prop-2-enyloxasilolane
CID 11033342
(2-prop-2-enyloxan-3-yl) butanoate
CID 15372487
(3R,4S)-4-tert-butyl-2-[2-(3-methoxyoxan-4-yl)propyl]oxan-3-ol
CID 146570273
(4-prop-2-enyloxan-2-yl)silane
CID 173307911

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-prop-2-enyloxolane?
The IUPAC name of 3-tert-butyl-2-prop-2-enyloxolane (CID 15502844) is 3-tert-butyl-2-prop-2-enyloxolane.
What is the SMILES notation for 3-tert-butyl-2-prop-2-enyloxolane?
The canonical SMILES for 3-tert-butyl-2-prop-2-enyloxolane is C=CCC1OCCC1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-2-prop-2-enyloxolane?
The InChIKey is KBDZEQVREFKZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-5-6-10-9(7-8-12-10)11(2,3)4/h5,9-10H,1,6-8H2,2-4H3.
What are the key properties of 3-tert-butyl-2-prop-2-enyloxolane?
3-tert-butyl-2-prop-2-enyloxolane has a molecular weight of 168.28 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-prop-2-enyloxolane is sourced from PubChem (CID 15502844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).