3-methyl-3-propylbicyclo[4.2.0]octane

C12H22 — CID 148753251

IUPAC3-methyl-3-propylbicyclo[4.2.0]octane
SMILESCCCC1(C)CCC2CCC2C1
InChIInChI=1S/C12H22/c1-3-7-12(2)8-6-10-4-5-11(10)9-12/h10-11H,3-9H2,1-2H3
InChIKeyOFCJFINOYMHLPN-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.00
Rot. Bonds2

About 3-methyl-3-propylbicyclo[4.2.0]octane

3-methyl-3-propylbicyclo[4.2.0]octane (PubChem CID 148753251) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 3-methyl-3-propylbicyclo[4.2.0]octane.

Molecular Properties

Compound Name3-methyl-3-propylbicyclo[4.2.0]octane
PubChem CID148753251
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name3-methyl-3-propylbicyclo[4.2.0]octane
SMILESCCCC1(C)CCC2CCC2C1
InChIInChI=1S/C12H22/c1-3-7-12(2)8-6-10-4-5-11(10)9-12/h10-11H,3-9H2,1-2H3
InChIKeyOFCJFINOYMHLPN-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 18597195
4-(4-butylcyclohexyl)-1-hexyl-1-methylcyclohexane
CID 18597187
1-butyl-1,3-dimethylcyclopentane
CID 123273889
2-(1-hydroxypropan-2-yl)-5-methyl-5-propylcyclohexan-1-ol
CID 155675582
3-methyl-3-propylcyclobutan-1-ol
CID 176695385
3-but-3-enyl-3-methylcyclopentan-1-amine
CID 116538762
1,1,3-trimethyl-3-propylcyclopentane
CID 123680922
ethane;2-methylpropane;1-methyl-1-propylcyclopropane
CID 156713855
(2R,4aS,6S)-2,6-dipropyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol
CID 18603399
5-methyl-5-propyl-1,3-dithiane
CID 15272114

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-propylbicyclo[4.2.0]octane?
The IUPAC name of 3-methyl-3-propylbicyclo[4.2.0]octane (CID 148753251) is 3-methyl-3-propylbicyclo[4.2.0]octane.
What is the SMILES notation for 3-methyl-3-propylbicyclo[4.2.0]octane?
The canonical SMILES for 3-methyl-3-propylbicyclo[4.2.0]octane is CCCC1(C)CCC2CCC2C1.
What is the InChIKey of 3-methyl-3-propylbicyclo[4.2.0]octane?
The InChIKey is OFCJFINOYMHLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-3-7-12(2)8-6-10-4-5-11(10)9-12/h10-11H,3-9H2,1-2H3.
What are the key properties of 3-methyl-3-propylbicyclo[4.2.0]octane?
3-methyl-3-propylbicyclo[4.2.0]octane has a molecular weight of 166.31 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-propylbicyclo[4.2.0]octane is sourced from PubChem (CID 148753251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).