5-[2-[(2-methylpropan-2-yl)oxy]propan-2-yl]bicyclo[2.2.1]hept-2-ene

C14H24O — CID 23405510

IUPAC5-[2-[(2-methylpropan-2-yl)oxy]propan-2-yl]bicyclo[2.2.1]hept-2-ene
SMILESCC(C)(C)OC(C)(C)C1CC2C=CC1C2
InChIInChI=1S/C14H24O/c1-13(2,3)15-14(4,5)12-9-10-6-7-11(12)8-10/h6-7,10-12H,8-9H2,1-5H3
InChIKeyUDPUMBAMJPJHHD-UHFFFAOYSA-N
MW208.34 g/mol
LogP3.79
Rot. Bonds2

About 5-[2-[(2-methylpropan-2-yl)oxy]propan-2-yl]bicyclo[2.2.1]hept-2-ene

5-[2-[(2-methylpropan-2-yl)oxy]propan-2-yl]bicyclo[2.2.1]hept-2-ene (PubChem CID 23405510) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 5-[2-[(2-methylpropan-2-yl)oxy]propan-2-yl]bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-[2-[(2-methylpropan-2-yl)oxy]propan-2-yl]bicyclo[2.2.1]hept-2-ene
PubChem CID23405510
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name5-[2-[(2-methylpropan-2-yl)oxy]propan-2-yl]bicyclo[2.2.1]hept-2-ene
SMILESCC(C)(C)OC(C)(C)C1CC2C=CC1C2
InChIInChI=1S/C14H24O/c1-13(2,3)15-14(4,5)12-9-10-6-7-11(12)8-10/h6-7,10-12H,8-9H2,1-5H3
InChIKeyUDPUMBAMJPJHHD-UHFFFAOYSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-[2-[(2-methylpropan-2-yl)oxy]propan-2-yl]bicyclo[2.2.1]hept-2-ene with MolForge

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Related Compounds

Lignorene
CID 134555475
(1S,2S,7R,9R)-7,9-dimethyl-4-propan-2-yl-8-oxatricyclo[5.4.0.02,9]undec-3-ene
CID 162937713
2-(5-Bicyclo[2.2.1]hept-2-enyl)propan-2-ol
CID 428884
5-(Methoxymethyl)norbornene
CID 18400387
5-(Octaoxymethyl)-2-norbornene
CID 86185185
1-Bicyclo(2.2.1)hept-5-en-2-yl-1-methylethyl acetate
CID 90792
5-[3,3,3-Trifluoro-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)propyl]bicyclo[2.2.1]hept-2-ene
CID 20743866
5-(1,1,1,3,3,3-Hexafluoro-2-methoxypropan-2-yl)bicyclo[2.2.1]hept-2-ene
CID 22278118
5-(3,3,3-Trifluoro-2-methoxy-2-methylpropyl)bicyclo[2.2.1]hept-2-ene
CID 22278123
5-(1,1,1-Trifluoro-2-methoxypropan-2-yl)bicyclo[2.2.1]hept-2-ene
CID 22278129
5-[3,3,3-Trifluoro-2-methoxy-2-(trifluoromethyl)propyl]bicyclo[2.2.1]hept-2-ene
CID 22278141
5-[2-Fluoro-2-[(2-methylpropan-2-yl)oxy]ethyl]bicyclo[2.2.1]hept-2-ene
CID 23405515

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2-methylpropan-2-yl)oxy]propan-2-yl]bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-[2-[(2-methylpropan-2-yl)oxy]propan-2-yl]bicyclo[2.2.1]hept-2-ene (CID 23405510) is 5-[2-[(2-methylpropan-2-yl)oxy]propan-2-yl]bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-[2-[(2-methylpropan-2-yl)oxy]propan-2-yl]bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-[2-[(2-methylpropan-2-yl)oxy]propan-2-yl]bicyclo[2.2.1]hept-2-ene is CC(C)(C)OC(C)(C)C1CC2C=CC1C2.
What is the InChIKey of 5-[2-[(2-methylpropan-2-yl)oxy]propan-2-yl]bicyclo[2.2.1]hept-2-ene?
The InChIKey is UDPUMBAMJPJHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-13(2,3)15-14(4,5)12-9-10-6-7-11(12)8-10/h6-7,10-12H,8-9H2,1-5H3.
What are the key properties of 5-[2-[(2-methylpropan-2-yl)oxy]propan-2-yl]bicyclo[2.2.1]hept-2-ene?
5-[2-[(2-methylpropan-2-yl)oxy]propan-2-yl]bicyclo[2.2.1]hept-2-ene has a molecular weight of 208.34 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2-methylpropan-2-yl)oxy]propan-2-yl]bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 23405510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).