2,2,4,7,7-pentamethylbicyclo[6.2.0]decane

C15H28 — CID 148883655

IUPAC2,2,4,7,7-pentamethylbicyclo[6.2.0]decane
SMILESCC1CCC(C)(C)C2CCC2C(C)(C)C1
InChIInChI=1S/C15H28/c1-11-8-9-14(2,3)12-6-7-13(12)15(4,5)10-11/h11-13H,6-10H2,1-5H3
InChIKeyPDOGJLBFWJMYML-UHFFFAOYSA-N
MW208.39 g/mol
LogP4.89
Rot. Bonds

About 2,2,4,7,7-pentamethylbicyclo[6.2.0]decane

2,2,4,7,7-pentamethylbicyclo[6.2.0]decane (PubChem CID 148883655) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is 2,2,4,7,7-pentamethylbicyclo[6.2.0]decane.

Molecular Properties

Compound Name2,2,4,7,7-pentamethylbicyclo[6.2.0]decane
PubChem CID148883655
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Name2,2,4,7,7-pentamethylbicyclo[6.2.0]decane
SMILESCC1CCC(C)(C)C2CCC2C(C)(C)C1
InChIInChI=1S/C15H28/c1-11-8-9-14(2,3)12-6-7-13(12)15(4,5)10-11/h11-13H,6-10H2,1-5H3
InChIKeyPDOGJLBFWJMYML-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.39
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,2,4-trimethylbicyclo[5.2.0]nonane
CID 123508525
(3R,8R)-3,8-dimethylspiro[4.4]nonane
CID 171400850
(2S)-1,1,2-trimethylcyclobutane
CID 59954523
1,1,2,7-tetramethylcyclooctane
CID 141451493
2,2,7-trimethylbicyclo[2.2.1]heptane
CID 18669850
2,7-dimethylspiro[3.4]octane
CID 142902956
3,8-dimethylspiro[4.4]nonane;ethane
CID 178108265
cis-(2R,4S)-1,1,2,4-tetramethylcyclohexane;ethene
CID 177145950
1,1,2,8-tetramethylcyclononane
CID 123968014
1,8,11-trimethyltricyclo[6.5.1.02,7]tetradecane
CID 154517445
1,2,6-trimethylspiro[2.4]heptane
CID 123183171
(3S)-1,1-difluoro-3-methylcyclopentane
CID 59434161

Frequently Asked Questions

What is the IUPAC name of 2,2,4,7,7-pentamethylbicyclo[6.2.0]decane?
The IUPAC name of 2,2,4,7,7-pentamethylbicyclo[6.2.0]decane (CID 148883655) is 2,2,4,7,7-pentamethylbicyclo[6.2.0]decane.
What is the SMILES notation for 2,2,4,7,7-pentamethylbicyclo[6.2.0]decane?
The canonical SMILES for 2,2,4,7,7-pentamethylbicyclo[6.2.0]decane is CC1CCC(C)(C)C2CCC2C(C)(C)C1.
What is the InChIKey of 2,2,4,7,7-pentamethylbicyclo[6.2.0]decane?
The InChIKey is PDOGJLBFWJMYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28/c1-11-8-9-14(2,3)12-6-7-13(12)15(4,5)10-11/h11-13H,6-10H2,1-5H3.
What are the key properties of 2,2,4,7,7-pentamethylbicyclo[6.2.0]decane?
2,2,4,7,7-pentamethylbicyclo[6.2.0]decane has a molecular weight of 208.39 g/mol, XLogP of 4.89, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,7,7-pentamethylbicyclo[6.2.0]decane is sourced from PubChem (CID 148883655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).