12,12-dimethyl-6-propan-2-yltricyclo[9.4.0.03,8]pentadecane

C20H36 — CID 164670574

IUPAC12,12-dimethyl-6-propan-2-yltricyclo[9.4.0.03,8]pentadecane
SMILESCC(C)C1CCC2CC3CCCC(C)(C)C3CCC2C1
InChIInChI=1S/C20H36/c1-14(2)15-7-8-16-13-18-6-5-11-20(3,4)19(18)10-9-17(16)12-15/h14-19H,5-13H2,1-4H3
InChIKeyWZNYBROGAALNBW-UHFFFAOYSA-N
MW276.51 g/mol
LogP6.30
Rot. Bonds1

About 12,12-dimethyl-6-propan-2-yltricyclo[9.4.0.03,8]pentadecane

12,12-dimethyl-6-propan-2-yltricyclo[9.4.0.03,8]pentadecane (PubChem CID 164670574) has the molecular formula C20H36 and a molecular weight of 276.51 g/mol. Its IUPAC name is 12,12-dimethyl-6-propan-2-yltricyclo[9.4.0.03,8]pentadecane.

Molecular Properties

Compound Name12,12-dimethyl-6-propan-2-yltricyclo[9.4.0.03,8]pentadecane
PubChem CID164670574
Molecular FormulaC20H36
Molecular Weight276.51 g/mol
Exact Mass276.28
IUPAC Name12,12-dimethyl-6-propan-2-yltricyclo[9.4.0.03,8]pentadecane
SMILESCC(C)C1CCC2CC3CCCC(C)(C)C3CCC2C1
InChIInChI=1S/C20H36/c1-14(2)15-7-8-16-13-18-6-5-11-20(3,4)19(18)10-9-17(16)12-15/h14-19H,5-13H2,1-4H3
InChIKeyWZNYBROGAALNBW-UHFFFAOYSA-N
XLogP6.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.51
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 12,12-dimethyl-6-propan-2-yltricyclo[9.4.0.03,8]pentadecane?
The IUPAC name of 12,12-dimethyl-6-propan-2-yltricyclo[9.4.0.03,8]pentadecane (CID 164670574) is 12,12-dimethyl-6-propan-2-yltricyclo[9.4.0.03,8]pentadecane.
What is the SMILES notation for 12,12-dimethyl-6-propan-2-yltricyclo[9.4.0.03,8]pentadecane?
The canonical SMILES for 12,12-dimethyl-6-propan-2-yltricyclo[9.4.0.03,8]pentadecane is CC(C)C1CCC2CC3CCCC(C)(C)C3CCC2C1.
What is the InChIKey of 12,12-dimethyl-6-propan-2-yltricyclo[9.4.0.03,8]pentadecane?
The InChIKey is WZNYBROGAALNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36/c1-14(2)15-7-8-16-13-18-6-5-11-20(3,4)19(18)10-9-17(16)12-15/h14-19H,5-13H2,1-4H3.
What are the key properties of 12,12-dimethyl-6-propan-2-yltricyclo[9.4.0.03,8]pentadecane?
12,12-dimethyl-6-propan-2-yltricyclo[9.4.0.03,8]pentadecane has a molecular weight of 276.51 g/mol, XLogP of 6.30, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12-dimethyl-6-propan-2-yltricyclo[9.4.0.03,8]pentadecane is sourced from PubChem (CID 164670574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).