CID 159024418

C20H40 — CID 159024418

IUPAC—
SMILESCC1(C)CC2(C1)CC1(C2)CC2(CC3(CC(C)(C)C3)C2)C1.[3H][3H].[3H][3H].[3H][3H].[H][3H]
InChIInChI=1S/C20H32.4H2/c1-15(2)5-17(6-15)9-19(10-17)13-20(14-19)11-18(12-20)7-16(3,4)8-18;;;;/h5-14H2,1-4H3;4*1H/i;3*1+2T;1+2
InChIKeyJUCOEPCHDFUHFT-OABXIVFKSA-N
MW294.60 g/mol
LogP6.94
Rot. Bonds

About CID 159024418

CID 159024418 (PubChem CID 159024418) has the molecular formula C20H40 and a molecular weight of 294.60 g/mol.

Molecular Properties

Compound NameCID 159024418
PubChem CID159024418
Molecular FormulaC20H40
Molecular Weight294.60 g/mol
Exact Mass294.37
IUPAC Name—
SMILESCC1(C)CC2(C1)CC1(C2)CC2(CC3(CC(C)(C)C3)C2)C1.[3H][3H].[3H][3H].[3H][3H].[H][3H]
InChIInChI=1S/C20H32.4H2/c1-15(2)5-17(6-15)9-19(10-17)13-20(14-19)11-18(12-20)7-16(3,4)8-18;;;;/h5-14H2,1-4H3;4*1H/i;3*1+2T;1+2
InChIKeyJUCOEPCHDFUHFT-OABXIVFKSA-N
XLogP6.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.60
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze CID 159024418 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

2,2-dimethyl-7-oxaspiro[3.5]nonane;ethane
CID 177218275
1,3,3,5-tetramethylbicyclo[3.1.0]hexane
CID 174953596
2,2,4,4,8,10,10-heptamethylspiro[5.5]undecane
CID 59482332
(7R)-2,2,6,7-tetramethyl-6-azaspiro[3.4]octane
CID 167522004
1-bromo-3-methylbicyclo[1.1.0]butane
CID 13300168
2-iodo-2,5,5-trimethylspiro[2.3]hexane
CID 71028526
1-(aminomethyl)-3,3-dimethylcyclobutane-1-carbonitrile
CID 121207974
1,3,5-trifluoro-3,7,7-trimethylbicyclo[3.3.1]nonane
CID 144996123
5,5,8,8-tetramethyl-azacycloundecane
CID 154959364
ethane;1-[(7S)-2,2,6-trimethyl-6-azaspiro[3.4]octan-7-yl]ethanone
CID 143643613
5,5,7,7-tetramethylspiro[2.5]octan-2-amine
CID 103961210
1-ethyl-3,3,5,5-tetramethylcyclohexan-1-ol
CID 66847688

Frequently Asked Questions

What is the IUPAC name of CID 159024418?
The IUPAC name of CID 159024418 (CID 159024418) is not available.
What is the SMILES notation for CID 159024418?
The canonical SMILES for CID 159024418 is CC1(C)CC2(C1)CC1(C2)CC2(CC3(CC(C)(C)C3)C2)C1.[3H][3H].[3H][3H].[3H][3H].[H][3H].
What is the InChIKey of CID 159024418?
The InChIKey is JUCOEPCHDFUHFT-OABXIVFKSA-N. The full InChI is InChI=1S/C20H32.4H2/c1-15(2)5-17(6-15)9-19(10-17)13-20(14-19)11-18(12-20)7-16(3,4)8-18;;;;/h5-14H2,1-4H3;4*1H/i;3*1+2T;1+2.
What are the key properties of CID 159024418?
CID 159024418 has a molecular weight of 294.60 g/mol, XLogP of 6.94, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159024418 is sourced from PubChem (CID 159024418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).