2-(2,2-dimethylpropyl)-4-propylbicyclo[3.2.0]heptane

C15H28 — CID 163656344

IUPAC2-(2,2-dimethylpropyl)-4-propylbicyclo[3.2.0]heptane
SMILESCCCC1CC(CC(C)(C)C)C2CCC12
InChIInChI=1S/C15H28/c1-5-6-11-9-12(10-15(2,3)4)14-8-7-13(11)14/h11-14H,5-10H2,1-4H3
InChIKeyIQNXEXALRKZELN-UHFFFAOYSA-N
MW208.39 g/mol
LogP4.89
Rot. Bonds3

About 2-(2,2-dimethylpropyl)-4-propylbicyclo[3.2.0]heptane

2-(2,2-dimethylpropyl)-4-propylbicyclo[3.2.0]heptane (PubChem CID 163656344) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-4-propylbicyclo[3.2.0]heptane.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-4-propylbicyclo[3.2.0]heptane
PubChem CID163656344
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Name2-(2,2-dimethylpropyl)-4-propylbicyclo[3.2.0]heptane
SMILESCCCC1CC(CC(C)(C)C)C2CCC12
InChIInChI=1S/C15H28/c1-5-6-11-9-12(10-15(2,3)4)14-8-7-13(11)14/h11-14H,5-10H2,1-4H3
InChIKeyIQNXEXALRKZELN-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
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

1-ethyl-4-propyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 167543521
3,5-bis(2,2-dimethylpropyl)tricyclo[5.2.1.02,6]decane
CID 144521814
2-methyl-5-[(1R)-2-propylcyclobutyl]bicyclo[4.2.0]octane
CID 163492978
2-(2,2-dimethylpropyl)-4-methylcyclohexan-1-ol
CID 58331735
cis-(1S,2R)-1,2-dipropylcyclohexane
CID 143217114
1-(1,1-difluoroethyl)-2-propylcyclopropane
CID 90058310
1-(2,2-dimethylpentyl)-4-methyl-2-propylcyclohexane
CID 91145673
1-(iodomethyl)-2-propylcyclopropane
CID 88994934
2,4-bis(2,2-dimethylpropyl)-6-ethyl-7-methylbicyclo[3.2.0]heptane
CID 145352950
1-[2-(cyclopentylmethyl)-3-propylcyclopentyl]-3,5-bis(3,3-dimethylbutyl)cyclohexane
CID 58552489
1-(2,2-dimethylpropyl)-3-methylcyclopentane
CID 58530421
1-propyl-2-undecylcyclopropane
CID 123636027

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-4-propylbicyclo[3.2.0]heptane?
The IUPAC name of 2-(2,2-dimethylpropyl)-4-propylbicyclo[3.2.0]heptane (CID 163656344) is 2-(2,2-dimethylpropyl)-4-propylbicyclo[3.2.0]heptane.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-4-propylbicyclo[3.2.0]heptane?
The canonical SMILES for 2-(2,2-dimethylpropyl)-4-propylbicyclo[3.2.0]heptane is CCCC1CC(CC(C)(C)C)C2CCC12.
What is the InChIKey of 2-(2,2-dimethylpropyl)-4-propylbicyclo[3.2.0]heptane?
The InChIKey is IQNXEXALRKZELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28/c1-5-6-11-9-12(10-15(2,3)4)14-8-7-13(11)14/h11-14H,5-10H2,1-4H3.
What are the key properties of 2-(2,2-dimethylpropyl)-4-propylbicyclo[3.2.0]heptane?
2-(2,2-dimethylpropyl)-4-propylbicyclo[3.2.0]heptane has a molecular weight of 208.39 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-4-propylbicyclo[3.2.0]heptane is sourced from PubChem (CID 163656344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).