1,5,8,8,11-pentamethyltetracyclo[7.5.1.02,7.013,15]pentadecane

C20H34 — CID 170933593

IUPAC1,5,8,8,11-pentamethyltetracyclo[7.5.1.02,7.013,15]pentadecane
SMILESCC1CCC2C(C1)C(C)(C)C1CC(C)CC3CC2(C)C31
InChIInChI=1S/C20H34/c1-12-6-7-15-16(9-12)19(3,4)17-10-13(2)8-14-11-20(15,5)18(14)17/h12-18H,6-11H2,1-5H3
InChIKeyXSVLRZAGKNLGGS-UHFFFAOYSA-N
MW274.49 g/mol
LogP5.77
Rot. Bonds

About 1,5,8,8,11-pentamethyltetracyclo[7.5.1.02,7.013,15]pentadecane

1,5,8,8,11-pentamethyltetracyclo[7.5.1.02,7.013,15]pentadecane (PubChem CID 170933593) has the molecular formula C20H34 and a molecular weight of 274.49 g/mol. Its IUPAC name is 1,5,8,8,11-pentamethyltetracyclo[7.5.1.02,7.013,15]pentadecane.

Molecular Properties

Compound Name1,5,8,8,11-pentamethyltetracyclo[7.5.1.02,7.013,15]pentadecane
PubChem CID170933593
Molecular FormulaC20H34
Molecular Weight274.49 g/mol
Exact Mass274.27
IUPAC Name1,5,8,8,11-pentamethyltetracyclo[7.5.1.02,7.013,15]pentadecane
SMILESCC1CCC2C(C1)C(C)(C)C1CC(C)CC3CC2(C)C31
InChIInChI=1S/C20H34/c1-12-6-7-15-16(9-12)19(3,4)17-10-13(2)8-14-11-20(15,5)18(14)17/h12-18H,6-11H2,1-5H3
InChIKeyXSVLRZAGKNLGGS-UHFFFAOYSA-N
XLogP5.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.49
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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pyrene;3,7,7-trimethylbicyclo[4.1.0]heptane
CID 174403628
4,4,6-trimethyl-2,3,3a,4a,5,6,7,8,8a,8b-decahydro-1H-cyclopenta[a]indene
CID 142551529
(2R,7R)-2,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 91751840
2,6,7,8a,10a-pentamethyl-1,2,3,4,4a,5,6,7,8,9,9a,10-dodecahydroanthracene
CID 162287879
2,3,5,5,8,8,9,9,12,12-decamethyl-1,2,3,4,4a,5a,6,6a,7,10,10a,11,11a,12a-tetradecahydrotetracene
CID 22894527
2,2,4-trimethylbicyclo[5.2.0]nonane
CID 123508525
3,3,4,5-tetramethyl-2-(4-methylcyclohexyl)-1,2,3a,4,5,6,7,7a-octahydroindene
CID 123565546
(3R)-1,3-dimethylcyclopentane
CID 13119651
1,3,6,8-tetramethylcyclodecane
CID 162455053
(3R,4aR,8aS)-3-methylspiro[2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene-8,1'-cyclohexane]
CID 58376158
(2,7-dimethyl-2-tricyclo[3.3.1.03,9]nonanyl) acetate
CID 147677229

Frequently Asked Questions

What is the IUPAC name of 1,5,8,8,11-pentamethyltetracyclo[7.5.1.02,7.013,15]pentadecane?
The IUPAC name of 1,5,8,8,11-pentamethyltetracyclo[7.5.1.02,7.013,15]pentadecane (CID 170933593) is 1,5,8,8,11-pentamethyltetracyclo[7.5.1.02,7.013,15]pentadecane.
What is the SMILES notation for 1,5,8,8,11-pentamethyltetracyclo[7.5.1.02,7.013,15]pentadecane?
The canonical SMILES for 1,5,8,8,11-pentamethyltetracyclo[7.5.1.02,7.013,15]pentadecane is CC1CCC2C(C1)C(C)(C)C1CC(C)CC3CC2(C)C31.
What is the InChIKey of 1,5,8,8,11-pentamethyltetracyclo[7.5.1.02,7.013,15]pentadecane?
The InChIKey is XSVLRZAGKNLGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34/c1-12-6-7-15-16(9-12)19(3,4)17-10-13(2)8-14-11-20(15,5)18(14)17/h12-18H,6-11H2,1-5H3.
What are the key properties of 1,5,8,8,11-pentamethyltetracyclo[7.5.1.02,7.013,15]pentadecane?
1,5,8,8,11-pentamethyltetracyclo[7.5.1.02,7.013,15]pentadecane has a molecular weight of 274.49 g/mol, XLogP of 5.77, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,8,8,11-pentamethyltetracyclo[7.5.1.02,7.013,15]pentadecane is sourced from PubChem (CID 170933593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).