4,9-di(propan-2-yl)tricyclo[5.3.0.02,6]decane

C16H28 — CID 156686010

IUPAC4,9-di(propan-2-yl)tricyclo[5.3.0.02,6]decane
SMILESCC(C)C1CC2C(C1)C1CC(C(C)C)CC21
InChIInChI=1S/C16H28/c1-9(2)11-5-13-14(6-11)16-8-12(10(3)4)7-15(13)16/h9-16H,5-8H2,1-4H3
InChIKeyGWYUFJVJLNSBNH-UHFFFAOYSA-N
MW220.40 g/mol
LogP4.60
Rot. Bonds2

About 4,9-di(propan-2-yl)tricyclo[5.3.0.02,6]decane

4,9-di(propan-2-yl)tricyclo[5.3.0.02,6]decane (PubChem CID 156686010) has the molecular formula C16H28 and a molecular weight of 220.40 g/mol. Its IUPAC name is 4,9-di(propan-2-yl)tricyclo[5.3.0.02,6]decane.

Molecular Properties

Compound Name4,9-di(propan-2-yl)tricyclo[5.3.0.02,6]decane
PubChem CID156686010
Molecular FormulaC16H28
Molecular Weight220.40 g/mol
Exact Mass220.22
IUPAC Name4,9-di(propan-2-yl)tricyclo[5.3.0.02,6]decane
SMILESCC(C)C1CC2C(C1)C1CC(C(C)C)CC21
InChIInChI=1S/C16H28/c1-9(2)11-5-13-14(6-11)16-8-12(10(3)4)7-15(13)16/h9-16H,5-8H2,1-4H3
InChIKeyGWYUFJVJLNSBNH-UHFFFAOYSA-N
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.40
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4,9-di(propan-2-yl)tricyclo[5.3.0.02,6]decane 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

4-propan-2-yltricyclo[5.2.1.02,6]decan-8-ol
CID 20697986
N,3-di(propan-2-yl)bicyclo[3.1.0]hexan-6-amine
CID 130466035
3-propan-2-ylbicyclo[3.1.1]heptane
CID 59796479
4-propan-2-ylcyclopentane-1,2-diol
CID 20608687
1,2,3,4-tetramethyl-6-propan-2-ylcycloheptane
CID 90791175
(2S,6R)-2,6-dimethyl-4-propan-2-ylpiperidine
CID 158604768
propan-2-ylcyclopropane;hydroiodide
CID 162314014
1,3-dimethyl-5-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 153382401
1-ethyl-3,5-di(propan-2-yl)cyclohexane
CID 90833557
2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-indene
CID 19746881
(3aS,6aR)-5-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydropentalen-2-amine
CID 177148579
trans-(1R,3R)-2-methyl-5-propan-2-ylcyclohexane-1,3-diol
CID 6431599

Frequently Asked Questions

What is the IUPAC name of 4,9-di(propan-2-yl)tricyclo[5.3.0.02,6]decane?
The IUPAC name of 4,9-di(propan-2-yl)tricyclo[5.3.0.02,6]decane (CID 156686010) is 4,9-di(propan-2-yl)tricyclo[5.3.0.02,6]decane.
What is the SMILES notation for 4,9-di(propan-2-yl)tricyclo[5.3.0.02,6]decane?
The canonical SMILES for 4,9-di(propan-2-yl)tricyclo[5.3.0.02,6]decane is CC(C)C1CC2C(C1)C1CC(C(C)C)CC21.
What is the InChIKey of 4,9-di(propan-2-yl)tricyclo[5.3.0.02,6]decane?
The InChIKey is GWYUFJVJLNSBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28/c1-9(2)11-5-13-14(6-11)16-8-12(10(3)4)7-15(13)16/h9-16H,5-8H2,1-4H3.
What are the key properties of 4,9-di(propan-2-yl)tricyclo[5.3.0.02,6]decane?
4,9-di(propan-2-yl)tricyclo[5.3.0.02,6]decane has a molecular weight of 220.40 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-di(propan-2-yl)tricyclo[5.3.0.02,6]decane is sourced from PubChem (CID 156686010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).