1-ethyl-3,6,6,7-tetramethyl-5-propan-2-ylidene-2-oxabicyclo[2.2.1]heptane

C15H26O — CID 59483094

IUPAC1-ethyl-3,6,6,7-tetramethyl-5-propan-2-ylidene-2-oxabicyclo[2.2.1]heptane
SMILESCCC12OC(C)C(C(=C(C)C)C1(C)C)C2C
InChIInChI=1S/C15H26O/c1-8-15-10(4)12(11(5)16-15)13(9(2)3)14(15,6)7/h10-12H,8H2,1-7H3
InChIKeyZJZDLPBXMUMGBB-UHFFFAOYSA-N
MW222.37 g/mol
LogP4.18
Rot. Bonds1

About 1-ethyl-3,6,6,7-tetramethyl-5-propan-2-ylidene-2-oxabicyclo[2.2.1]heptane

1-ethyl-3,6,6,7-tetramethyl-5-propan-2-ylidene-2-oxabicyclo[2.2.1]heptane (PubChem CID 59483094) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 1-ethyl-3,6,6,7-tetramethyl-5-propan-2-ylidene-2-oxabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name1-ethyl-3,6,6,7-tetramethyl-5-propan-2-ylidene-2-oxabicyclo[2.2.1]heptane
PubChem CID59483094
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name1-ethyl-3,6,6,7-tetramethyl-5-propan-2-ylidene-2-oxabicyclo[2.2.1]heptane
SMILESCCC12OC(C)C(C(=C(C)C)C1(C)C)C2C
InChIInChI=1S/C15H26O/c1-8-15-10(4)12(11(5)16-15)13(9(2)3)14(15,6)7/h10-12H,8H2,1-7H3
InChIKeyZJZDLPBXMUMGBB-UHFFFAOYSA-N
XLogP4.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.18
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

Lignorene
CID 134555475
(1R,3S,4S)-1',4,7,7-tetramethylspiro[2-oxabicyclo[2.2.1]heptane-3,4'-cyclohexene]
CID 100984563
3,4,4,5,5-Pentamethyl-2-oxatricyclo[4.3.1.03,10]dec-6-ene
CID 20243269
(1R,3S,7S)-1-ethyl-3,6,6,7-tetramethyl-5-propan-2-ylidene-2-oxabicyclo[2.2.1]heptane
CID 59483024
1-Ethyl-3,5,5,7-tetramethyl-6-propan-2-ylidene-2-oxabicyclo[2.2.1]heptane
CID 59483043
(1R,3S,7S)-1-ethyl-3,5,5,7-tetramethyl-6-propan-2-ylidene-2-oxabicyclo[2.2.1]heptane
CID 59483087
(1R,3S,4R,7R)-1-ethyl-3,7-dimethyl-5-methylidene-2-oxabicyclo[2.2.1]heptane
CID 59638521
1-Ethyl-3,7-dimethyl-5-methylidene-2-oxabicyclo[2.2.1]heptane
CID 72345124
3-Methyl-5-methylidene-1-(2-methylpropyl)-7-propan-2-yl-2-oxabicyclo[2.2.1]heptane
CID 89798637
(3S,7S)-1-tert-butyl-3,6,6-trimethyl-5-methylidene-7-tritio-2-oxabicyclo[2.2.1]heptane
CID 117878981
1-Tert-butyl-3,6,6-trimethyl-5-methylidene-7-tritio-2-oxabicyclo[2.2.1]heptane
CID 117879009
5-(2-Ethoxypropan-2-yl)-2,5-dimethylbicyclo[2.2.1]hept-2-ene
CID 132080502

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,6,6,7-tetramethyl-5-propan-2-ylidene-2-oxabicyclo[2.2.1]heptane?
The IUPAC name of 1-ethyl-3,6,6,7-tetramethyl-5-propan-2-ylidene-2-oxabicyclo[2.2.1]heptane (CID 59483094) is 1-ethyl-3,6,6,7-tetramethyl-5-propan-2-ylidene-2-oxabicyclo[2.2.1]heptane.
What is the SMILES notation for 1-ethyl-3,6,6,7-tetramethyl-5-propan-2-ylidene-2-oxabicyclo[2.2.1]heptane?
The canonical SMILES for 1-ethyl-3,6,6,7-tetramethyl-5-propan-2-ylidene-2-oxabicyclo[2.2.1]heptane is CCC12OC(C)C(C(=C(C)C)C1(C)C)C2C.
What is the InChIKey of 1-ethyl-3,6,6,7-tetramethyl-5-propan-2-ylidene-2-oxabicyclo[2.2.1]heptane?
The InChIKey is ZJZDLPBXMUMGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-8-15-10(4)12(11(5)16-15)13(9(2)3)14(15,6)7/h10-12H,8H2,1-7H3.
What are the key properties of 1-ethyl-3,6,6,7-tetramethyl-5-propan-2-ylidene-2-oxabicyclo[2.2.1]heptane?
1-ethyl-3,6,6,7-tetramethyl-5-propan-2-ylidene-2-oxabicyclo[2.2.1]heptane has a molecular weight of 222.37 g/mol, XLogP of 4.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,6,6,7-tetramethyl-5-propan-2-ylidene-2-oxabicyclo[2.2.1]heptane is sourced from PubChem (CID 59483094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).