1-propan-2-yltricyclo[4.1.0.02,7]heptane

C10H16 — CID 134889377

IUPAC1-propan-2-yltricyclo[4.1.0.02,7]heptane
SMILESCC(C)C12C3CCCC1C32
InChIInChI=1S/C10H16/c1-6(2)10-7-4-3-5-8(10)9(7)10/h6-9H,3-5H2,1-2H3
InChIKeyCLFBQUURPYUJDT-UHFFFAOYSA-N
MW136.24 g/mol
LogP2.69
Rot. Bonds1

About 1-propan-2-yltricyclo[4.1.0.02,7]heptane

1-propan-2-yltricyclo[4.1.0.02,7]heptane (PubChem CID 134889377) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 1-propan-2-yltricyclo[4.1.0.02,7]heptane.

Molecular Properties

Compound Name1-propan-2-yltricyclo[4.1.0.02,7]heptane
PubChem CID134889377
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name1-propan-2-yltricyclo[4.1.0.02,7]heptane
SMILESCC(C)C12C3CCCC1C32
InChIInChI=1S/C10H16/c1-6(2)10-7-4-3-5-8(10)9(7)10/h6-9H,3-5H2,1-2H3
InChIKeyCLFBQUURPYUJDT-UHFFFAOYSA-N
XLogP2.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-propan-2-yltricyclo[4.1.0.02,7]heptane 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

Tricyclo(4.1.0.02,7)heptane, 1-methyl-
CID 141700
4-Methylspiro[2.5]octane
CID 15329636
Tricyclo(4.1.0.02,7)heptane, 2-methyl-
CID 142442
1,8-Dimethylspiro[5.5]undecane
CID 565330
1-Tert-butyltricyclo[4.1.0.02,7]heptane
CID 21677570
Trispiro[2.2.2.2.2.2]pentadecan
CID 58501616
1-Ethyl-2-methylbicyclohexane
CID 139620623
Dispiro(cyclopropane-1,2'-bicyclo(2.2.2)octane-3',1''-cyclopropane)
CID 142497
Dispiro(2.0.2.4)decane
CID 141064
1-Ethyl-2-(1-methylcyclohexyl)cyclohexane
CID 54229002
2-Tert-butyltricyclo[4.1.0.0~2,7~]heptane
CID 13622825
1-Methylspiro[bicyclo[1.1.0]butane-2,1'-cyclohexane]
CID 134889491

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yltricyclo[4.1.0.02,7]heptane?
The IUPAC name of 1-propan-2-yltricyclo[4.1.0.02,7]heptane (CID 134889377) is 1-propan-2-yltricyclo[4.1.0.02,7]heptane.
What is the SMILES notation for 1-propan-2-yltricyclo[4.1.0.02,7]heptane?
The canonical SMILES for 1-propan-2-yltricyclo[4.1.0.02,7]heptane is CC(C)C12C3CCCC1C32.
What is the InChIKey of 1-propan-2-yltricyclo[4.1.0.02,7]heptane?
The InChIKey is CLFBQUURPYUJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-6(2)10-7-4-3-5-8(10)9(7)10/h6-9H,3-5H2,1-2H3.
What are the key properties of 1-propan-2-yltricyclo[4.1.0.02,7]heptane?
1-propan-2-yltricyclo[4.1.0.02,7]heptane has a molecular weight of 136.24 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yltricyclo[4.1.0.02,7]heptane is sourced from PubChem (CID 134889377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).