1,3,4,5,6,8,9,10,11,12-decamethylpentacyclo[5.4.1.03,10.04,12.05,9]dodecane

C22H36 — CID 123472690

IUPAC1,3,4,5,6,8,9,10,11,12-decamethylpentacyclo[5.4.1.03,10.04,12.05,9]dodecane
SMILESCC1C2(C)CC3(C)C1(C)C1(C)C(C)C4C(C)C1(C)C3(C)C42C
InChIInChI=1S/C22H36/c1-12-15-13(2)19(7)18(12,6)20(8)14(3)16(4)11-17(20,5)22(19,10)21(15,16)9/h12-15H,11H2,1-10H3
InChIKeyPZBWEJWYASZVDN-UHFFFAOYSA-N
MW300.53 g/mol
LogP6.01
Rot. Bonds

About 1,3,4,5,6,8,9,10,11,12-decamethylpentacyclo[5.4.1.03,10.04,12.05,9]dodecane

1,3,4,5,6,8,9,10,11,12-decamethylpentacyclo[5.4.1.03,10.04,12.05,9]dodecane (PubChem CID 123472690) has the molecular formula C22H36 and a molecular weight of 300.53 g/mol. Its IUPAC name is 1,3,4,5,6,8,9,10,11,12-decamethylpentacyclo[5.4.1.03,10.04,12.05,9]dodecane.

Molecular Properties

Compound Name1,3,4,5,6,8,9,10,11,12-decamethylpentacyclo[5.4.1.03,10.04,12.05,9]dodecane
PubChem CID123472690
Molecular FormulaC22H36
Molecular Weight300.53 g/mol
Exact Mass300.28
IUPAC Name1,3,4,5,6,8,9,10,11,12-decamethylpentacyclo[5.4.1.03,10.04,12.05,9]dodecane
SMILESCC1C2(C)CC3(C)C1(C)C1(C)C(C)C4C(C)C1(C)C3(C)C42C
InChIInChI=1S/C22H36/c1-12-15-13(2)19(7)18(12,6)20(8)14(3)16(4)11-17(20,5)22(19,10)21(15,16)9/h12-15H,11H2,1-10H3
InChIKeyPZBWEJWYASZVDN-UHFFFAOYSA-N
XLogP6.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.53
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,3,4,5,6,8,9,10,11,12-decamethylpentacyclo[5.4.1.03,10.04,12.05,9]dodecane 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

1,2,3,3,5,6,7,8-octamethyltricyclo[4.2.0.02,5]octane
CID 91455245
1,2,3,3,5,6,7,8,9,10-decamethyltetracyclo[4.4.0.02,5.07,10]decane
CID 123585245
12-ethyl-1,3,4,5,6,7,8,9,10,13,14,15,16,17,18,19-hexadecamethyl-6-propan-2-yloctacyclo[9.8.0.03,18.04,17.05,16.07,15.08,14.09,13]nonadecane
CID 123250463
1,2,2,3,4,5,6,6-octamethylbicyclo[3.1.1]heptane
CID 123650644
4,5,5,6,7,8,14,15-octamethylnonacyclo[8.6.0.01,12.02,7.02,9.03,6.03,16.04,15.013,16]hexadecane
CID 143863315
4,5,6,8-tetramethyltetracyclo[3.3.0.01,3.02,6]octane
CID 123295375
1,2,3,4,4,5,5,6,7,8,9,10,11,12,13,14-hexadecamethylhexacyclo[6.6.0.02,7.03,6.09,14.010,13]tetradecane
CID 123795452
1,2,2,3,5,5,6-heptamethylbicyclo[2.1.1]hexane
CID 142061780
7,8,9,10-tetramethyldodecacyclo[10.8.0.01,4.02,9.02,11.03,6.03,8.04,19.05,18.013,20.015,20.016,19]icosane
CID 20740891
ethane;1,1,2,3,3-pentamethylcyclobutane
CID 177318359
4,5,6,9,10,11-hexamethylhexacyclo[6.4.0.01,10.02,5.02,7.03,12]dodecane
CID 174043765
1,2,33,34,35,36-hexamethylpentahexacontacyclo[30.4.4.34,39.26,7.28,9.210,11.212,13.217,18.221,22.223,24.225,26.227,28.229,30.114,16.131,40.03,37.034,40.035,39.036,38.449,52.342,47.343,64.360,62.248,63.258,59.15,65.153,55.019,54.037,44.038,43.041,42.041,45.044,66.045,84.046,47.046,83.048,49.050,51.050,80.051,79.052,53.054,55.056,57.056,76.057,58.059,60.061,62.061,73.063,64.065,68.066,69.067,70.067,82.068,83.069,84.070,72.071,81.071,82.072,81.073,80.074,75.074,79.075,78.076,77.077,78]tetraoctacontane
CID 58991895

Frequently Asked Questions

What is the IUPAC name of 1,3,4,5,6,8,9,10,11,12-decamethylpentacyclo[5.4.1.03,10.04,12.05,9]dodecane?
The IUPAC name of 1,3,4,5,6,8,9,10,11,12-decamethylpentacyclo[5.4.1.03,10.04,12.05,9]dodecane (CID 123472690) is 1,3,4,5,6,8,9,10,11,12-decamethylpentacyclo[5.4.1.03,10.04,12.05,9]dodecane.
What is the SMILES notation for 1,3,4,5,6,8,9,10,11,12-decamethylpentacyclo[5.4.1.03,10.04,12.05,9]dodecane?
The canonical SMILES for 1,3,4,5,6,8,9,10,11,12-decamethylpentacyclo[5.4.1.03,10.04,12.05,9]dodecane is CC1C2(C)CC3(C)C1(C)C1(C)C(C)C4C(C)C1(C)C3(C)C42C.
What is the InChIKey of 1,3,4,5,6,8,9,10,11,12-decamethylpentacyclo[5.4.1.03,10.04,12.05,9]dodecane?
The InChIKey is PZBWEJWYASZVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36/c1-12-15-13(2)19(7)18(12,6)20(8)14(3)16(4)11-17(20,5)22(19,10)21(15,16)9/h12-15H,11H2,1-10H3.
What are the key properties of 1,3,4,5,6,8,9,10,11,12-decamethylpentacyclo[5.4.1.03,10.04,12.05,9]dodecane?
1,3,4,5,6,8,9,10,11,12-decamethylpentacyclo[5.4.1.03,10.04,12.05,9]dodecane has a molecular weight of 300.53 g/mol, XLogP of 6.01, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,5,6,8,9,10,11,12-decamethylpentacyclo[5.4.1.03,10.04,12.05,9]dodecane is sourced from PubChem (CID 123472690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).