1-cyclopropyl-2-[(8,8,9-trimethylcyclonona-1,5-dien-1-yl)methyl]cyclopropane-1-carbaldehyde

C20H30O — CID 123192565

IUPAC1-cyclopropyl-2-[(8,8,9-trimethylcyclonona-1,5-dien-1-yl)methyl]cyclopropane-1-carbaldehyde
SMILESCC1C(CC2CC2(C=O)C2CC2)=CCCC=CCC1(C)C
InChIInChI=1S/C20H30O/c1-15-16(8-6-4-5-7-11-19(15,2)3)12-18-13-20(18,14-21)17-9-10-17/h5,7-8,14-15,17-18H,4,6,9-13H2,1-3H3
InChIKeyHFVAHSVWAXRZBB-UHFFFAOYSA-N
MW286.46 g/mol
LogP5.32
Rot. Bonds4

About 1-cyclopropyl-2-[(8,8,9-trimethylcyclonona-1,5-dien-1-yl)methyl]cyclopropane-1-carbaldehyde

1-cyclopropyl-2-[(8,8,9-trimethylcyclonona-1,5-dien-1-yl)methyl]cyclopropane-1-carbaldehyde (PubChem CID 123192565) has the molecular formula C20H30O and a molecular weight of 286.46 g/mol. Its IUPAC name is 1-cyclopropyl-2-[(8,8,9-trimethylcyclonona-1,5-dien-1-yl)methyl]cyclopropane-1-carbaldehyde.

Molecular Properties

Compound Name1-cyclopropyl-2-[(8,8,9-trimethylcyclonona-1,5-dien-1-yl)methyl]cyclopropane-1-carbaldehyde
PubChem CID123192565
Molecular FormulaC20H30O
Molecular Weight286.46 g/mol
Exact Mass286.23
IUPAC Name1-cyclopropyl-2-[(8,8,9-trimethylcyclonona-1,5-dien-1-yl)methyl]cyclopropane-1-carbaldehyde
SMILESCC1C(CC2CC2(C=O)C2CC2)=CCCC=CCC1(C)C
InChIInChI=1S/C20H30O/c1-15-16(8-6-4-5-7-11-19(15,2)3)12-18-13-20(18,14-21)17-9-10-17/h5,7-8,14-15,17-18H,4,6,9-13H2,1-3H3
InChIKeyHFVAHSVWAXRZBB-UHFFFAOYSA-N
XLogP5.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.46
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-cyclopropyl-2-[(8,8,9-trimethylcyclonona-1,5-dien-1-yl)methyl]cyclopropane-1-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[(8,8,9-trimethylcyclonona-1,5-dien-1-yl)methyl]cyclopropane-1-carbaldehyde?
The IUPAC name of 1-cyclopropyl-2-[(8,8,9-trimethylcyclonona-1,5-dien-1-yl)methyl]cyclopropane-1-carbaldehyde (CID 123192565) is 1-cyclopropyl-2-[(8,8,9-trimethylcyclonona-1,5-dien-1-yl)methyl]cyclopropane-1-carbaldehyde.
What is the SMILES notation for 1-cyclopropyl-2-[(8,8,9-trimethylcyclonona-1,5-dien-1-yl)methyl]cyclopropane-1-carbaldehyde?
The canonical SMILES for 1-cyclopropyl-2-[(8,8,9-trimethylcyclonona-1,5-dien-1-yl)methyl]cyclopropane-1-carbaldehyde is CC1C(CC2CC2(C=O)C2CC2)=CCCC=CCC1(C)C.
What is the InChIKey of 1-cyclopropyl-2-[(8,8,9-trimethylcyclonona-1,5-dien-1-yl)methyl]cyclopropane-1-carbaldehyde?
The InChIKey is HFVAHSVWAXRZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O/c1-15-16(8-6-4-5-7-11-19(15,2)3)12-18-13-20(18,14-21)17-9-10-17/h5,7-8,14-15,17-18H,4,6,9-13H2,1-3H3.
What are the key properties of 1-cyclopropyl-2-[(8,8,9-trimethylcyclonona-1,5-dien-1-yl)methyl]cyclopropane-1-carbaldehyde?
1-cyclopropyl-2-[(8,8,9-trimethylcyclonona-1,5-dien-1-yl)methyl]cyclopropane-1-carbaldehyde has a molecular weight of 286.46 g/mol, XLogP of 5.32, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[(8,8,9-trimethylcyclonona-1,5-dien-1-yl)methyl]cyclopropane-1-carbaldehyde is sourced from PubChem (CID 123192565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).