7,7-dimethylbicyclo[2.2.1]hept-2-ene-2-carbaldehyde

C10H14O — CID 14342390

IUPAC7,7-dimethylbicyclo[2.2.1]hept-2-ene-2-carbaldehyde
SMILESCC1(C)C2C=C(C=O)C1CC2
InChIInChI=1S/C10H14O/c1-10(2)8-3-4-9(10)7(5-8)6-11/h5-6,8-9H,3-4H2,1-2H3
InChIKeyVPLCJZVVHVARRM-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.18
Rot. Bonds1

About 7,7-dimethylbicyclo[2.2.1]hept-2-ene-2-carbaldehyde

7,7-dimethylbicyclo[2.2.1]hept-2-ene-2-carbaldehyde (PubChem CID 14342390) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 7,7-dimethylbicyclo[2.2.1]hept-2-ene-2-carbaldehyde.

Molecular Properties

Compound Name7,7-dimethylbicyclo[2.2.1]hept-2-ene-2-carbaldehyde
PubChem CID14342390
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name7,7-dimethylbicyclo[2.2.1]hept-2-ene-2-carbaldehyde
SMILESCC1(C)C2C=C(C=O)C1CC2
InChIInChI=1S/C10H14O/c1-10(2)8-3-4-9(10)7(5-8)6-11/h5-6,8-9H,3-4H2,1-2H3
InChIKeyVPLCJZVVHVARRM-UHFFFAOYSA-N
XLogP2.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R,5R,8S)-2,10,10-trimethyltricyclo[6.3.0.01,5]undec-6-ene-6-carbaldehyde
CID 56928137
2,7a-dimethyl-1,2,4a,5,6,7-hexahydrocyclopenta[b]pyridine-3-carbaldehyde
CID 118018419
(1S,4R)-2,3-dimethylbicyclo[2.2.1]hept-2-ene;2,7,7-trimethylbicyclo[2.2.1]hept-2-ene
CID 173324506
4,7,7-trimethylbicyclo[2.2.1]hept-2-ene-2-carbaldehyde
CID 121220530
(1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-carbaldehyde
CID 1201529
(1R,2Z,6E,10E,14S)-4-hydroxy-7,11,15,15-tetramethylbicyclo[12.1.0]pentadeca-2,6,10-triene-3-carbaldehyde
CID 10638118
(1R,5R,7R)-7-hydroxy-6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-carbaldehyde
CID 162919839
bicyclo[3.3.2]dec-9-ene-9-carbaldehyde
CID 14961885
(5S)-5-methylcyclopentene-1-carbaldehyde
CID 101259456
6-methylbicyclo[4.1.0]hepta-2,4-diene-3-carbaldehyde
CID 147217206
(1S,4S)-7,7-dimethylbicyclo[2.2.1]heptane-2,3-dione
CID 98048147
(1S,4S)-bicyclo[2.2.1]hept-2-ene-2-carbaldehyde
CID 91217973

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethylbicyclo[2.2.1]hept-2-ene-2-carbaldehyde?
The IUPAC name of 7,7-dimethylbicyclo[2.2.1]hept-2-ene-2-carbaldehyde (CID 14342390) is 7,7-dimethylbicyclo[2.2.1]hept-2-ene-2-carbaldehyde.
What is the SMILES notation for 7,7-dimethylbicyclo[2.2.1]hept-2-ene-2-carbaldehyde?
The canonical SMILES for 7,7-dimethylbicyclo[2.2.1]hept-2-ene-2-carbaldehyde is CC1(C)C2C=C(C=O)C1CC2.
What is the InChIKey of 7,7-dimethylbicyclo[2.2.1]hept-2-ene-2-carbaldehyde?
The InChIKey is VPLCJZVVHVARRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-10(2)8-3-4-9(10)7(5-8)6-11/h5-6,8-9H,3-4H2,1-2H3.
What are the key properties of 7,7-dimethylbicyclo[2.2.1]hept-2-ene-2-carbaldehyde?
7,7-dimethylbicyclo[2.2.1]hept-2-ene-2-carbaldehyde has a molecular weight of 150.22 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethylbicyclo[2.2.1]hept-2-ene-2-carbaldehyde is sourced from PubChem (CID 14342390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).