1-propan-2-yloxybicyclo[2.2.1]hept-2-ene

C10H16O — CID 154334588

IUPAC1-propan-2-yloxybicyclo[2.2.1]hept-2-ene
SMILESCC(C)OC12C=CC(CC1)C2
InChIInChI=1S/C10H16O/c1-8(2)11-10-5-3-9(7-10)4-6-10/h3,5,8-9H,4,6-7H2,1-2H3
InChIKeyXFCJWWOZFGCYCH-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.52
Rot. Bonds2

About 1-propan-2-yloxybicyclo[2.2.1]hept-2-ene

1-propan-2-yloxybicyclo[2.2.1]hept-2-ene (PubChem CID 154334588) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-propan-2-yloxybicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name1-propan-2-yloxybicyclo[2.2.1]hept-2-ene
PubChem CID154334588
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name1-propan-2-yloxybicyclo[2.2.1]hept-2-ene
SMILESCC(C)OC12C=CC(CC1)C2
InChIInChI=1S/C10H16O/c1-8(2)11-10-5-3-9(7-10)4-6-10/h3,5,8-9H,4,6-7H2,1-2H3
InChIKeyXFCJWWOZFGCYCH-UHFFFAOYSA-N
XLogP2.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.52
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

2,6,9,10-Tetramethyl-1-oxaspiro(4.5)deca-3,6-diene
CID 116740
9-Methyl-6-oxaspiro[4.5]dec-9-ene
CID 642971
7-[(2-Methylpropan-2-yl)oxy]bicyclo[2.2.1]hept-2-ene
CID 12835247
5-Butoxy-2-norbornene
CID 22335856
Exo-butoxybicyclo[2.2.1]hept-2-ene
CID 66877328
1-Methoxybicyclo[2.2.1]hept-2-ene
CID 67791029
1-(4-Ethoxy-1,1,2,2,3,3-hexafluorobutoxy)bicyclo[2.2.1]hept-2-ene
CID 140734748
5-(3-Methoxybut-1-enyl)bicyclo[2.2.1]hept-2-ene
CID 149961625
5,6-Bis(methoxymethyl)-1-methyl-7-oxabicyclo[2.2.1]hept-2-ene
CID 85404952
(4aS,7R,7aS)-7-ethenyl-3-methyl-2,4a,5,6,7,7a-hexahydrocyclopenta[b]pyran
CID 101019065
(4aS,7R,7aR)-7-ethenyl-3-methyl-2,4a,5,6,7,7a-hexahydrocyclopenta[b]pyran
CID 101164563
(2R)-2-propyl-1-oxaspiro[4.5]dec-3-ene
CID 102295153

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yloxybicyclo[2.2.1]hept-2-ene?
The IUPAC name of 1-propan-2-yloxybicyclo[2.2.1]hept-2-ene (CID 154334588) is 1-propan-2-yloxybicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 1-propan-2-yloxybicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 1-propan-2-yloxybicyclo[2.2.1]hept-2-ene is CC(C)OC12C=CC(CC1)C2.
What is the InChIKey of 1-propan-2-yloxybicyclo[2.2.1]hept-2-ene?
The InChIKey is XFCJWWOZFGCYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-8(2)11-10-5-3-9(7-10)4-6-10/h3,5,8-9H,4,6-7H2,1-2H3.
What are the key properties of 1-propan-2-yloxybicyclo[2.2.1]hept-2-ene?
1-propan-2-yloxybicyclo[2.2.1]hept-2-ene has a molecular weight of 152.24 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yloxybicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 154334588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).