4,5,12-trimethyltetracyclo[11.2.1.05,15.08,14]hexadecane

C19H32 — CID 164680322

IUPAC4,5,12-trimethyltetracyclo[11.2.1.05,15.08,14]hexadecane
SMILESCC1CCCC2CCC3(C)C(C)CCC4CC1C2C43
InChIInChI=1S/C19H32/c1-12-5-4-6-14-9-10-19(3)13(2)7-8-15-11-16(12)17(14)18(15)19/h12-18H,4-11H2,1-3H3
InChIKeyBPFROGHEIKPVPU-UHFFFAOYSA-N
MW260.46 g/mol
LogP5.52
Rot. Bonds

About 4,5,12-trimethyltetracyclo[11.2.1.05,15.08,14]hexadecane

4,5,12-trimethyltetracyclo[11.2.1.05,15.08,14]hexadecane (PubChem CID 164680322) has the molecular formula C19H32 and a molecular weight of 260.46 g/mol. Its IUPAC name is 4,5,12-trimethyltetracyclo[11.2.1.05,15.08,14]hexadecane.

Molecular Properties

Compound Name4,5,12-trimethyltetracyclo[11.2.1.05,15.08,14]hexadecane
PubChem CID164680322
Molecular FormulaC19H32
Molecular Weight260.46 g/mol
Exact Mass260.25
IUPAC Name4,5,12-trimethyltetracyclo[11.2.1.05,15.08,14]hexadecane
SMILESCC1CCCC2CCC3(C)C(C)CCC4CC1C2C43
InChIInChI=1S/C19H32/c1-12-5-4-6-14-9-10-19(3)13(2)7-8-15-11-16(12)17(14)18(15)19/h12-18H,4-11H2,1-3H3
InChIKeyBPFROGHEIKPVPU-UHFFFAOYSA-N
XLogP5.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.46
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4,5,12-trimethyltetracyclo[11.2.1.05,15.08,14]hexadecane 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

(6R)-2-methylbicyclo[4.1.0]heptane
CID 143188107
(1S,3aS,4S,7aR)-1,4,7a-trimethyl-1,2,3,3a,4,5,6,7-octahydroindene
CID 59130187
5b,8,11a-trimethyl-2,3,3a,4,5,5a,6,7,7a,8,9,10,11,11b,12,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysene
CID 144917568
(10aR)-4a,6a,7-trimethyl-2,3,4,4b,5,6,6b,7,8,9,10,10a,11,11a,11b,12,13,13a-octadecahydro-1H-indeno[2,1-a]phenanthrene
CID 123522446
5,10,13,17-tetramethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene
CID 143398911
(1R)-1-cyclobutyl-4-(2-methylcyclohexyl)cycloheptane
CID 163683133
2-methylbicyclo[5.2.0]nonane
CID 90842882
(1S,4aR,8aR)-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 6427449
1-cyclobutyl-2-methylcyclohexane
CID 146763407
(2S)-1-cyclopentyl-2-methylcyclopentane
CID 140885757
(1R,3aR,6aR)-1-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 12702720
13,17-dimethyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-3-ol
CID 70987226

Frequently Asked Questions

What is the IUPAC name of 4,5,12-trimethyltetracyclo[11.2.1.05,15.08,14]hexadecane?
The IUPAC name of 4,5,12-trimethyltetracyclo[11.2.1.05,15.08,14]hexadecane (CID 164680322) is 4,5,12-trimethyltetracyclo[11.2.1.05,15.08,14]hexadecane.
What is the SMILES notation for 4,5,12-trimethyltetracyclo[11.2.1.05,15.08,14]hexadecane?
The canonical SMILES for 4,5,12-trimethyltetracyclo[11.2.1.05,15.08,14]hexadecane is CC1CCCC2CCC3(C)C(C)CCC4CC1C2C43.
What is the InChIKey of 4,5,12-trimethyltetracyclo[11.2.1.05,15.08,14]hexadecane?
The InChIKey is BPFROGHEIKPVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32/c1-12-5-4-6-14-9-10-19(3)13(2)7-8-15-11-16(12)17(14)18(15)19/h12-18H,4-11H2,1-3H3.
What are the key properties of 4,5,12-trimethyltetracyclo[11.2.1.05,15.08,14]hexadecane?
4,5,12-trimethyltetracyclo[11.2.1.05,15.08,14]hexadecane has a molecular weight of 260.46 g/mol, XLogP of 5.52, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,12-trimethyltetracyclo[11.2.1.05,15.08,14]hexadecane is sourced from PubChem (CID 164680322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).