1,8,11-trimethyltricyclo[6.5.1.02,7]tetradecane

C17H30 — CID 154517445

IUPAC1,8,11-trimethyltricyclo[6.5.1.02,7]tetradecane
SMILESCC1CCC2(C)CC(C)(CC1)C1CCCCC12
InChIInChI=1S/C17H30/c1-13-8-10-16(2)12-17(3,11-9-13)15-7-5-4-6-14(15)16/h13-15H,4-12H2,1-3H3
InChIKeyDZNSDBJSLJLIRR-UHFFFAOYSA-N
MW234.43 g/mol
LogP5.42
Rot. Bonds

About 1,8,11-trimethyltricyclo[6.5.1.02,7]tetradecane

1,8,11-trimethyltricyclo[6.5.1.02,7]tetradecane (PubChem CID 154517445) has the molecular formula C17H30 and a molecular weight of 234.43 g/mol. Its IUPAC name is 1,8,11-trimethyltricyclo[6.5.1.02,7]tetradecane.

Molecular Properties

Compound Name1,8,11-trimethyltricyclo[6.5.1.02,7]tetradecane
PubChem CID154517445
Molecular FormulaC17H30
Molecular Weight234.43 g/mol
Exact Mass234.23
IUPAC Name1,8,11-trimethyltricyclo[6.5.1.02,7]tetradecane
SMILESCC1CCC2(C)CC(C)(CC1)C1CCCCC12
InChIInChI=1S/C17H30/c1-13-8-10-16(2)12-17(3,11-9-13)15-7-5-4-6-14(15)16/h13-15H,4-12H2,1-3H3
InChIKeyDZNSDBJSLJLIRR-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.43
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-cyclopentyl-5,8-dimethyltetracyclo[7.5.2.12,8.01,16]heptadecane
CID 163521532
1,1,4-trimethylcyclononane
CID 71397842
2,2,6-trimethylspiro[2.5]octane
CID 149026229
methylcyclopentane
CID 7296
3,11-dimethyldispiro[5.1.58.16]tetradecane
CID 18633626
1,1,5-trimethylcycloundecane
CID 161434950
3,9-dimethylspiro[5.5]undecane
CID 20825106
methylcyclohexane;phosphane;pentahydrochloride
CID 174057866
1,1,2,7-tetramethylcyclooctane
CID 141451493
1,1,5,8-tetramethylcyclotetradecane
CID 143796202
1,6-dimethylcyclodecan-1-amine
CID 163518000
CID 123161961
CID 123161961

Frequently Asked Questions

What is the IUPAC name of 1,8,11-trimethyltricyclo[6.5.1.02,7]tetradecane?
The IUPAC name of 1,8,11-trimethyltricyclo[6.5.1.02,7]tetradecane (CID 154517445) is 1,8,11-trimethyltricyclo[6.5.1.02,7]tetradecane.
What is the SMILES notation for 1,8,11-trimethyltricyclo[6.5.1.02,7]tetradecane?
The canonical SMILES for 1,8,11-trimethyltricyclo[6.5.1.02,7]tetradecane is CC1CCC2(C)CC(C)(CC1)C1CCCCC12.
What is the InChIKey of 1,8,11-trimethyltricyclo[6.5.1.02,7]tetradecane?
The InChIKey is DZNSDBJSLJLIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30/c1-13-8-10-16(2)12-17(3,11-9-13)15-7-5-4-6-14(15)16/h13-15H,4-12H2,1-3H3.
What are the key properties of 1,8,11-trimethyltricyclo[6.5.1.02,7]tetradecane?
1,8,11-trimethyltricyclo[6.5.1.02,7]tetradecane has a molecular weight of 234.43 g/mol, XLogP of 5.42, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8,11-trimethyltricyclo[6.5.1.02,7]tetradecane is sourced from PubChem (CID 154517445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).