7,7-dimethylbicyclo[4.1.0]hept-3-ene-3-carbaldehyde

C10H14O — CID 572048

IUPAC7,7-dimethylbicyclo[4.1.0]hept-3-ene-3-carbaldehyde
SMILESCC1(C)C2CC=C(C=O)CC21
InChIInChI=1S/C10H14O/c1-10(2)8-4-3-7(6-11)5-9(8)10/h3,6,8-9H,4-5H2,1-2H3
InChIKeyUUEWWPMRAWHKBO-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.18
Rot. Bonds1

About 7,7-dimethylbicyclo[4.1.0]hept-3-ene-3-carbaldehyde

7,7-dimethylbicyclo[4.1.0]hept-3-ene-3-carbaldehyde (PubChem CID 572048) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 7,7-dimethylbicyclo[4.1.0]hept-3-ene-3-carbaldehyde.

Molecular Properties

Compound Name7,7-dimethylbicyclo[4.1.0]hept-3-ene-3-carbaldehyde
PubChem CID572048
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name7,7-dimethylbicyclo[4.1.0]hept-3-ene-3-carbaldehyde
SMILESCC1(C)C2CC=C(C=O)CC21
InChIInChI=1S/C10H14O/c1-10(2)8-4-3-7(6-11)5-9(8)10/h3,6,8-9H,4-5H2,1-2H3
InChIKeyUUEWWPMRAWHKBO-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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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethylbicyclo[4.1.0]hept-3-ene-3-carbaldehyde?
The IUPAC name of 7,7-dimethylbicyclo[4.1.0]hept-3-ene-3-carbaldehyde (CID 572048) is 7,7-dimethylbicyclo[4.1.0]hept-3-ene-3-carbaldehyde.
What is the SMILES notation for 7,7-dimethylbicyclo[4.1.0]hept-3-ene-3-carbaldehyde?
The canonical SMILES for 7,7-dimethylbicyclo[4.1.0]hept-3-ene-3-carbaldehyde is CC1(C)C2CC=C(C=O)CC21.
What is the InChIKey of 7,7-dimethylbicyclo[4.1.0]hept-3-ene-3-carbaldehyde?
The InChIKey is UUEWWPMRAWHKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-10(2)8-4-3-7(6-11)5-9(8)10/h3,6,8-9H,4-5H2,1-2H3.
What are the key properties of 7,7-dimethylbicyclo[4.1.0]hept-3-ene-3-carbaldehyde?
7,7-dimethylbicyclo[4.1.0]hept-3-ene-3-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[4.1.0]hept-3-ene-3-carbaldehyde is sourced from PubChem (CID 572048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).