(1S,2S,3R,4S,6R,7R,8R)-1,2-dimethyl-8-propan-2-yltetracyclo[4.4.0.02,4.03,7]decane

C15H24 — CID 154495896

IUPAC(1S,2S,3R,4S,6R,7R,8R)-1,2-dimethyl-8-propan-2-yltetracyclo[4.4.0.02,4.03,7]decane
SMILESCC(C)[C@H]1CC[C@@]2(C)[C@@H]3C[C@H]4[C@@H]([C@H]13)[C@]42C
InChIInChI=1S/C15H24/c1-8(2)9-5-6-14(3)10-7-11-13(12(9)10)15(11,14)4/h8-13H,5-7H2,1-4H3/t9-,10-,11+,12-,13+,14+,15+/m1/s1
InChIKeyXBWACJDEQIZTPR-UQFQIWMKSA-N
MW204.36 g/mol
LogP3.96
Rot. Bonds1

About (1S,2S,3R,4S,6R,7R,8R)-1,2-dimethyl-8-propan-2-yltetracyclo[4.4.0.02,4.03,7]decane

(1S,2S,3R,4S,6R,7R,8R)-1,2-dimethyl-8-propan-2-yltetracyclo[4.4.0.02,4.03,7]decane (PubChem CID 154495896) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is (1S,2S,3R,4S,6R,7R,8R)-1,2-dimethyl-8-propan-2-yltetracyclo[4.4.0.02,4.03,7]decane.

Molecular Properties

Compound Name(1S,2S,3R,4S,6R,7R,8R)-1,2-dimethyl-8-propan-2-yltetracyclo[4.4.0.02,4.03,7]decane
PubChem CID154495896
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name(1S,2S,3R,4S,6R,7R,8R)-1,2-dimethyl-8-propan-2-yltetracyclo[4.4.0.02,4.03,7]decane
SMILESCC(C)[C@H]1CC[C@@]2(C)[C@@H]3C[C@H]4[C@@H]([C@H]13)[C@]42C
InChIInChI=1S/C15H24/c1-8(2)9-5-6-14(3)10-7-11-13(12(9)10)15(11,14)4/h8-13H,5-7H2,1-4H3/t9-,10-,11+,12-,13+,14+,15+/m1/s1
InChIKeyXBWACJDEQIZTPR-UQFQIWMKSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (1S,2S,3R,4S,6R,7R,8R)-1,2-dimethyl-8-propan-2-yltetracyclo[4.4.0.02,4.03,7]decane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,2S,3R,4S,6R,7R,8R)-1,2-dimethyl-8-propan-2-yltetracyclo[4.4.0.02,4.03,7]decane?
The IUPAC name of (1S,2S,3R,4S,6R,7R,8R)-1,2-dimethyl-8-propan-2-yltetracyclo[4.4.0.02,4.03,7]decane (CID 154495896) is (1S,2S,3R,4S,6R,7R,8R)-1,2-dimethyl-8-propan-2-yltetracyclo[4.4.0.02,4.03,7]decane.
What is the SMILES notation for (1S,2S,3R,4S,6R,7R,8R)-1,2-dimethyl-8-propan-2-yltetracyclo[4.4.0.02,4.03,7]decane?
The canonical SMILES for (1S,2S,3R,4S,6R,7R,8R)-1,2-dimethyl-8-propan-2-yltetracyclo[4.4.0.02,4.03,7]decane is CC(C)[C@H]1CC[C@@]2(C)[C@@H]3C[C@H]4[C@@H]([C@H]13)[C@]42C.
What is the InChIKey of (1S,2S,3R,4S,6R,7R,8R)-1,2-dimethyl-8-propan-2-yltetracyclo[4.4.0.02,4.03,7]decane?
The InChIKey is XBWACJDEQIZTPR-UQFQIWMKSA-N. The full InChI is InChI=1S/C15H24/c1-8(2)9-5-6-14(3)10-7-11-13(12(9)10)15(11,14)4/h8-13H,5-7H2,1-4H3/t9-,10-,11+,12-,13+,14+,15+/m1/s1.
What are the key properties of (1S,2S,3R,4S,6R,7R,8R)-1,2-dimethyl-8-propan-2-yltetracyclo[4.4.0.02,4.03,7]decane?
(1S,2S,3R,4S,6R,7R,8R)-1,2-dimethyl-8-propan-2-yltetracyclo[4.4.0.02,4.03,7]decane has a molecular weight of 204.36 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3R,4S,6R,7R,8R)-1,2-dimethyl-8-propan-2-yltetracyclo[4.4.0.02,4.03,7]decane is sourced from PubChem (CID 154495896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).