1,1,5-trimethyl-11-propan-2-ylcyclotetradecane

C20H40 — CID 123878948

IUPAC1,1,5-trimethyl-11-propan-2-ylcyclotetradecane
SMILESCC1CCCCCC(C(C)C)CCCC(C)(C)CCC1
InChIInChI=1S/C20H40/c1-17(2)19-13-8-6-7-11-18(3)12-9-15-20(4,5)16-10-14-19/h17-19H,6-16H2,1-5H3
InChIKeyHRQPCUIUBOGRSG-UHFFFAOYSA-N
MW280.54 g/mol
LogP7.23
Rot. Bonds1

About 1,1,5-trimethyl-11-propan-2-ylcyclotetradecane

1,1,5-trimethyl-11-propan-2-ylcyclotetradecane (PubChem CID 123878948) has the molecular formula C20H40 and a molecular weight of 280.54 g/mol. Its IUPAC name is 1,1,5-trimethyl-11-propan-2-ylcyclotetradecane.

Molecular Properties

Compound Name1,1,5-trimethyl-11-propan-2-ylcyclotetradecane
PubChem CID123878948
Molecular FormulaC20H40
Molecular Weight280.54 g/mol
Exact Mass280.31
IUPAC Name1,1,5-trimethyl-11-propan-2-ylcyclotetradecane
SMILESCC1CCCCCC(C(C)C)CCCC(C)(C)CCC1
InChIInChI=1S/C20H40/c1-17(2)19-13-8-6-7-11-18(3)12-9-15-20(4,5)16-10-14-19/h17-19H,6-16H2,1-5H3
InChIKeyHRQPCUIUBOGRSG-UHFFFAOYSA-N
XLogP7.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.54
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1,5-trimethylcycloundecane
CID 161434950
1,1-dimethyl-4-propan-2-ylcyclohexane;propan-2-ylcyclohexane
CID 165006340
1,1,5,8-tetramethylcyclotetradecane
CID 143796202
1,1,4-trimethylcyclononane
CID 71397842
cis-(1S,4R)-1-methyl-4-propan-2-ylcycloheptane
CID 58254317
methane;propan-2-ylcyclotetradecane
CID 159882779
ethane;methane;propan-2-ylcyclohexane
CID 169430642
1,6-dimethylcycloundecane
CID 91298161
cyclohexane;methylcyclopentane
CID 20788572
2,2-dimethylpropane;propan-2-ylcyclohexane
CID 159663996
benzene;propan-2-ylcyclohexane
CID 163364158
cobalt;1,1,3-trimethylcyclohexane
CID 70372264

Frequently Asked Questions

What is the IUPAC name of 1,1,5-trimethyl-11-propan-2-ylcyclotetradecane?
The IUPAC name of 1,1,5-trimethyl-11-propan-2-ylcyclotetradecane (CID 123878948) is 1,1,5-trimethyl-11-propan-2-ylcyclotetradecane.
What is the SMILES notation for 1,1,5-trimethyl-11-propan-2-ylcyclotetradecane?
The canonical SMILES for 1,1,5-trimethyl-11-propan-2-ylcyclotetradecane is CC1CCCCCC(C(C)C)CCCC(C)(C)CCC1.
What is the InChIKey of 1,1,5-trimethyl-11-propan-2-ylcyclotetradecane?
The InChIKey is HRQPCUIUBOGRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40/c1-17(2)19-13-8-6-7-11-18(3)12-9-15-20(4,5)16-10-14-19/h17-19H,6-16H2,1-5H3.
What are the key properties of 1,1,5-trimethyl-11-propan-2-ylcyclotetradecane?
1,1,5-trimethyl-11-propan-2-ylcyclotetradecane has a molecular weight of 280.54 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 1,1,5-trimethyl-11-propan-2-ylcyclotetradecane is sourced from PubChem (CID 123878948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).