7,8-diethyl-1,1-dimethylcyclotridecane

C19H38 — CID 123809995

IUPAC7,8-diethyl-1,1-dimethylcyclotridecane
SMILESCCC1CCCCCC(C)(C)CCCCCC1CC
InChIInChI=1S/C19H38/c1-5-17-13-9-7-11-15-19(3,4)16-12-8-10-14-18(17)6-2/h17-18H,5-16H2,1-4H3
InChIKeyGMYBZHIDWQKVNJ-UHFFFAOYSA-N
MW266.51 g/mol
LogP6.98
Rot. Bonds2

About 7,8-diethyl-1,1-dimethylcyclotridecane

7,8-diethyl-1,1-dimethylcyclotridecane (PubChem CID 123809995) has the molecular formula C19H38 and a molecular weight of 266.51 g/mol. Its IUPAC name is 7,8-diethyl-1,1-dimethylcyclotridecane.

Molecular Properties

Compound Name7,8-diethyl-1,1-dimethylcyclotridecane
PubChem CID123809995
Molecular FormulaC19H38
Molecular Weight266.51 g/mol
Exact Mass266.30
IUPAC Name7,8-diethyl-1,1-dimethylcyclotridecane
SMILESCCC1CCCCCC(C)(C)CCCCCC1CC
InChIInChI=1S/C19H38/c1-5-17-13-9-7-11-15-19(3,4)16-12-8-10-14-18(17)6-2/h17-18H,5-16H2,1-4H3
InChIKeyGMYBZHIDWQKVNJ-UHFFFAOYSA-N
XLogP6.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.51
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 7,8-diethyl-1,1-dimethylcyclotridecane?
The IUPAC name of 7,8-diethyl-1,1-dimethylcyclotridecane (CID 123809995) is 7,8-diethyl-1,1-dimethylcyclotridecane.
What is the SMILES notation for 7,8-diethyl-1,1-dimethylcyclotridecane?
The canonical SMILES for 7,8-diethyl-1,1-dimethylcyclotridecane is CCC1CCCCCC(C)(C)CCCCCC1CC.
What is the InChIKey of 7,8-diethyl-1,1-dimethylcyclotridecane?
The InChIKey is GMYBZHIDWQKVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38/c1-5-17-13-9-7-11-15-19(3,4)16-12-8-10-14-18(17)6-2/h17-18H,5-16H2,1-4H3.
What are the key properties of 7,8-diethyl-1,1-dimethylcyclotridecane?
7,8-diethyl-1,1-dimethylcyclotridecane has a molecular weight of 266.51 g/mol, XLogP of 6.98, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-diethyl-1,1-dimethylcyclotridecane is sourced from PubChem (CID 123809995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).