1-cycloheptyl-3,6-dimethylcyclooctane;methylcyclopropane

C21H40 — CID 158856738

IUPAC1-cycloheptyl-3,6-dimethylcyclooctane;methylcyclopropane
SMILESCC1CC1.CC1CCC(C)CC(C2CCCCCC2)CC1
InChIInChI=1S/C17H32.C4H8/c1-14-9-10-15(2)13-17(12-11-14)16-7-5-3-4-6-8-16;1-4-2-3-4/h14-17H,3-13H2,1-2H3;4H,2-3H2,1H3
InChIKeyJADMLOPOUZOLJQ-UHFFFAOYSA-N
MW292.55 g/mol
LogP7.23
Rot. Bonds1

About 1-cycloheptyl-3,6-dimethylcyclooctane;methylcyclopropane

1-cycloheptyl-3,6-dimethylcyclooctane;methylcyclopropane (PubChem CID 158856738) has the molecular formula C21H40 and a molecular weight of 292.55 g/mol. Its IUPAC name is 1-cycloheptyl-3,6-dimethylcyclooctane;methylcyclopropane.

Molecular Properties

Compound Name1-cycloheptyl-3,6-dimethylcyclooctane;methylcyclopropane
PubChem CID158856738
Molecular FormulaC21H40
Molecular Weight292.55 g/mol
Exact Mass292.31
IUPAC Name1-cycloheptyl-3,6-dimethylcyclooctane;methylcyclopropane
SMILESCC1CC1.CC1CCC(C)CC(C2CCCCCC2)CC1
InChIInChI=1S/C17H32.C4H8/c1-14-9-10-15(2)13-17(12-11-14)16-7-5-3-4-6-8-16;1-4-2-3-4/h14-17H,3-13H2,1-2H3;4H,2-3H2,1H3
InChIKeyJADMLOPOUZOLJQ-UHFFFAOYSA-N
XLogP7.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.55
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-cycloheptyl-3,6-dimethylcyclooctane;methylcyclopropane with MolForge

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

Launch Full Analysis

Related Compounds

(3S)-3-methyl-2,3,4,4a,5,6,7,8,9,10,11,11a-dodecahydro-1H-benzo[9]annulene
CID 163642160
5-cyclohexyl-1,3-dimethyl-9-(4-methylcyclohexyl)cyclotridecane
CID 58552401
6-methyl-1,3-bis(4-methylcyclooctyl)cyclooctane;methylcyclooctane
CID 162228402
2-methyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
CID 58782386
3-cyclopropyl-1-methyl-5-(5-methylcyclooctyl)cyclooctane;1,5-dimethylcyclooctane;ethane;methylcyclooctane
CID 159988764
1-(3-cyclooctylcyclopentyl)-5-methylcyclooctane
CID 162472459
1,5-di(cyclooctyl)-3-methylcyclooctane
CID 123162765
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;methylcyclohexane
CID 158943908
1-cyclodecyl-6-methylcycloundecane
CID 123480440
(2R,7R)-2,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 91751840
1-fluoro-3-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane
CID 126548134
5-methylbicyclo[11.3.0]hexadecane
CID 58552761

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3,6-dimethylcyclooctane;methylcyclopropane?
The IUPAC name of 1-cycloheptyl-3,6-dimethylcyclooctane;methylcyclopropane (CID 158856738) is 1-cycloheptyl-3,6-dimethylcyclooctane;methylcyclopropane.
What is the SMILES notation for 1-cycloheptyl-3,6-dimethylcyclooctane;methylcyclopropane?
The canonical SMILES for 1-cycloheptyl-3,6-dimethylcyclooctane;methylcyclopropane is CC1CC1.CC1CCC(C)CC(C2CCCCCC2)CC1.
What is the InChIKey of 1-cycloheptyl-3,6-dimethylcyclooctane;methylcyclopropane?
The InChIKey is JADMLOPOUZOLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32.C4H8/c1-14-9-10-15(2)13-17(12-11-14)16-7-5-3-4-6-8-16;1-4-2-3-4/h14-17H,3-13H2,1-2H3;4H,2-3H2,1H3.
What are the key properties of 1-cycloheptyl-3,6-dimethylcyclooctane;methylcyclopropane?
1-cycloheptyl-3,6-dimethylcyclooctane;methylcyclopropane has a molecular weight of 292.55 g/mol, XLogP of 7.23, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3,6-dimethylcyclooctane;methylcyclopropane is sourced from PubChem (CID 158856738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).