spiro[bicyclo[2.2.1]hept-2-ene-5,2'-oxolane]

C10H14O — CID 23555997

IUPACspiro[bicyclo[2.2.1]hept-2-ene-5,2'-oxolane]
SMILESC1=CC2CC1CC21CCCO1
InChIInChI=1S/C10H14O/c1-4-10(11-5-1)7-8-2-3-9(10)6-8/h2-3,8-9H,1,4-7H2
InChIKeyQRAGLNTWZGOQQB-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.13
Rot. Bonds

About spiro[bicyclo[2.2.1]hept-2-ene-5,2'-oxolane]

spiro[bicyclo[2.2.1]hept-2-ene-5,2'-oxolane] (PubChem CID 23555997) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is spiro[bicyclo[2.2.1]hept-2-ene-5,2'-oxolane].

Molecular Properties

Compound Namespiro[bicyclo[2.2.1]hept-2-ene-5,2'-oxolane]
PubChem CID23555997
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Namespiro[bicyclo[2.2.1]hept-2-ene-5,2'-oxolane]
SMILESC1=CC2CC1CC21CCCO1
InChIInChI=1S/C10H14O/c1-4-10(11-5-1)7-8-2-3-9(10)6-8/h2-3,8-9H,1,4-7H2
InChIKeyQRAGLNTWZGOQQB-UHFFFAOYSA-N
XLogP2.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.13
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,4S,7R)-1,3,3-trimethyl-7-(5-methylidenecyclopenten-1-yl)-2-oxabicyclo[2.2.1]heptane
CID 162891904
5-[2-Fluoro-2-[(2-methylpropan-2-yl)oxy]ethyl]bicyclo[2.2.1]hept-2-ene
CID 23405515
7-Ethenyl-1,3,3-trimethyl-2-oxabicyclo[2.2.1]heptane
CID 134839625
(1S,4S,7R,11R)-9-oxapentacyclo[6.5.0.02,11.03,7.04,10]trideca-5,12-diene
CID 155929914
1,3,3-Trimethyl-7-(5-methylcyclopenta-1,4-dien-1-yl)-2-oxabicyclo[2.2. 1]heptane
CID 12152393
5-Methylidene-2-norbornene-5,8-oxide
CID 548744
10-Oxatricyclo[4.2.1.1(3,9)]dec-4-ene, 9-ethenyl-
CID 556514
(1R,2R,7S,9S)-7,9-dimethyl-8-oxatricyclo[5.4.0.02,9]undec-3-ene
CID 10631175
5-Ethoxy-5-methylbicyclo[2.2.1]hept-2-ene
CID 12607822
2-[5-(2-Bicyclo[2.2.1]hept-5-enyl)pentyl]oxolane
CID 18676483
Spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]
CID 18676484

Frequently Asked Questions

What is the IUPAC name of spiro[bicyclo[2.2.1]hept-2-ene-5,2'-oxolane]?
The IUPAC name of spiro[bicyclo[2.2.1]hept-2-ene-5,2'-oxolane] (CID 23555997) is spiro[bicyclo[2.2.1]hept-2-ene-5,2'-oxolane].
What is the SMILES notation for spiro[bicyclo[2.2.1]hept-2-ene-5,2'-oxolane]?
The canonical SMILES for spiro[bicyclo[2.2.1]hept-2-ene-5,2'-oxolane] is C1=CC2CC1CC21CCCO1.
What is the InChIKey of spiro[bicyclo[2.2.1]hept-2-ene-5,2'-oxolane]?
The InChIKey is QRAGLNTWZGOQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-4-10(11-5-1)7-8-2-3-9(10)6-8/h2-3,8-9H,1,4-7H2.
What are the key properties of spiro[bicyclo[2.2.1]hept-2-ene-5,2'-oxolane]?
spiro[bicyclo[2.2.1]hept-2-ene-5,2'-oxolane] has a molecular weight of 150.22 g/mol, XLogP of 2.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[bicyclo[2.2.1]hept-2-ene-5,2'-oxolane] is sourced from PubChem (CID 23555997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).