2,3-di(propan-2-yl)-9-oxabicyclo[3.3.1]non-2-ene

C14H24O — CID 177129371

IUPAC2,3-di(propan-2-yl)-9-oxabicyclo[3.3.1]non-2-ene
SMILESCC(C)C1=C(C(C)C)C2CCCC(C1)O2
InChIInChI=1S/C14H24O/c1-9(2)12-8-11-6-5-7-13(15-11)14(12)10(3)4/h9-11,13H,5-8H2,1-4H3
InChIKeyRWYYZGPKNNTHON-UHFFFAOYSA-N
MW208.34 g/mol
LogP3.94
Rot. Bonds2

About 2,3-di(propan-2-yl)-9-oxabicyclo[3.3.1]non-2-ene

2,3-di(propan-2-yl)-9-oxabicyclo[3.3.1]non-2-ene (PubChem CID 177129371) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 2,3-di(propan-2-yl)-9-oxabicyclo[3.3.1]non-2-ene.

Molecular Properties

Compound Name2,3-di(propan-2-yl)-9-oxabicyclo[3.3.1]non-2-ene
PubChem CID177129371
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name2,3-di(propan-2-yl)-9-oxabicyclo[3.3.1]non-2-ene
SMILESCC(C)C1=C(C(C)C)C2CCCC(C1)O2
InChIInChI=1S/C14H24O/c1-9(2)12-8-11-6-5-7-13(15-11)14(12)10(3)4/h9-11,13H,5-8H2,1-4H3
InChIKeyRWYYZGPKNNTHON-UHFFFAOYSA-N
XLogP3.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.94
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

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(2S,4S,4aS,8aS)-4,7-dimethyl-2-(2-methylprop-1-enyl)-3,4,4a,5,6,8a-hexahydro-2H-chromene
CID 15484403
2-Cyclohexyl-3,4-dimethyl-2,5-dihydrofuran
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2-cyclohexyl-4,5-dimethyl-3,6-dihydro-2H-pyran
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4,5-dimethyl-2-(2,4,4-trimethylpentyl)-3,6-dihydro-2H-pyran
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(3R,6R)-6-(cyclohepten-1-yl)-3-methyl-2-methylideneoxane
CID 139255248
(2S)-4,5-dimethyl-2-(2-methylpropyl)-3,6-dihydro-2H-pyran
CID 154712744
Bisabola-2,10-diene 1,9-oxide
CID 91750183
2-Oxabicyclo [4,4,0] dec-9-ene-1,3,7,7-tetramethyl
CID 91750427
3-Oxabicyclo[3.3.1]non-6-ene, 6-methyl-4-isopropyl-
CID 564663
4-methylidene-2-(2-methylpropyl)oxane;4-methyl-2-(2-methylpropyl)-3,6-dihydro-2H-pyran;4-methyl-6-(2-methylpropyl)-3,6-dihydro-2H-pyran
CID 12347125

Frequently Asked Questions

What is the IUPAC name of 2,3-di(propan-2-yl)-9-oxabicyclo[3.3.1]non-2-ene?
The IUPAC name of 2,3-di(propan-2-yl)-9-oxabicyclo[3.3.1]non-2-ene (CID 177129371) is 2,3-di(propan-2-yl)-9-oxabicyclo[3.3.1]non-2-ene.
What is the SMILES notation for 2,3-di(propan-2-yl)-9-oxabicyclo[3.3.1]non-2-ene?
The canonical SMILES for 2,3-di(propan-2-yl)-9-oxabicyclo[3.3.1]non-2-ene is CC(C)C1=C(C(C)C)C2CCCC(C1)O2.
What is the InChIKey of 2,3-di(propan-2-yl)-9-oxabicyclo[3.3.1]non-2-ene?
The InChIKey is RWYYZGPKNNTHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-9(2)12-8-11-6-5-7-13(15-11)14(12)10(3)4/h9-11,13H,5-8H2,1-4H3.
What are the key properties of 2,3-di(propan-2-yl)-9-oxabicyclo[3.3.1]non-2-ene?
2,3-di(propan-2-yl)-9-oxabicyclo[3.3.1]non-2-ene has a molecular weight of 208.34 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-di(propan-2-yl)-9-oxabicyclo[3.3.1]non-2-ene is sourced from PubChem (CID 177129371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).