1,1-dimethyl-4-propylcyclotridecane

C18H36 — CID 123608299

IUPAC1,1-dimethyl-4-propylcyclotridecane
SMILESCCCC1CCCCCCCCCC(C)(C)CC1
InChIInChI=1S/C18H36/c1-4-12-17-13-10-8-6-5-7-9-11-15-18(2,3)16-14-17/h17H,4-16H2,1-3H3
InChIKeyVDEVAXRJUTYREP-UHFFFAOYSA-N
MW252.49 g/mol
LogP6.73
Rot. Bonds2

About 1,1-dimethyl-4-propylcyclotridecane

1,1-dimethyl-4-propylcyclotridecane (PubChem CID 123608299) has the molecular formula C18H36 and a molecular weight of 252.49 g/mol. Its IUPAC name is 1,1-dimethyl-4-propylcyclotridecane.

Molecular Properties

Compound Name1,1-dimethyl-4-propylcyclotridecane
PubChem CID123608299
Molecular FormulaC18H36
Molecular Weight252.49 g/mol
Exact Mass252.28
IUPAC Name1,1-dimethyl-4-propylcyclotridecane
SMILESCCCC1CCCCCCCCCC(C)(C)CC1
InChIInChI=1S/C18H36/c1-4-12-17-13-10-8-6-5-7-9-11-15-18(2,3)16-14-17/h17H,4-16H2,1-3H3
InChIKeyVDEVAXRJUTYREP-UHFFFAOYSA-N
XLogP6.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.49
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,1-dimethyl-4-propylcyclotridecane 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

propylcyclotetradecane
CID 90991550
3-propylspiro[5.6]dodecane
CID 163613469
1-(2-cyclohexylethyl)-4-[2-(4-propylcyclohexyl)ethyl]cyclohexane
CID 70430254
1-butyl-4-propylcyclononane
CID 123467552
1-cyclohexyl-6-propylcyclodecane
CID 58552139
formaldehyde;propylcyclohexane
CID 174845889
formonitrile;propylcyclohexane
CID 174902049
7,8-diethyl-1,1-dimethylcyclotridecane
CID 123809995
1-cyclohexyl-4-propylcycloheptan-1-amine
CID 65086734
7-propylspiro[3.5]nonane
CID 144910869
1,1-bis(4-propylcyclohexyl)cyclohexane
CID 54232179
1-(cyclohexylmethoxy)-1-(iodomethyl)-4-propylcyclohexane
CID 114773990

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-4-propylcyclotridecane?
The IUPAC name of 1,1-dimethyl-4-propylcyclotridecane (CID 123608299) is 1,1-dimethyl-4-propylcyclotridecane.
What is the SMILES notation for 1,1-dimethyl-4-propylcyclotridecane?
The canonical SMILES for 1,1-dimethyl-4-propylcyclotridecane is CCCC1CCCCCCCCCC(C)(C)CC1.
What is the InChIKey of 1,1-dimethyl-4-propylcyclotridecane?
The InChIKey is VDEVAXRJUTYREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36/c1-4-12-17-13-10-8-6-5-7-9-11-15-18(2,3)16-14-17/h17H,4-16H2,1-3H3.
What are the key properties of 1,1-dimethyl-4-propylcyclotridecane?
1,1-dimethyl-4-propylcyclotridecane has a molecular weight of 252.49 g/mol, XLogP of 6.73, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-4-propylcyclotridecane is sourced from PubChem (CID 123608299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).