1-(2-methylcyclobutyl)-4-propylbicyclo[3.2.2]nonane

C17H30 — CID 163726966

IUPAC1-(2-methylcyclobutyl)-4-propylbicyclo[3.2.2]nonane
SMILESCCCC1CCC2(C3CCC3C)CCC1CC2
InChIInChI=1S/C17H30/c1-3-4-14-7-10-17(16-6-5-13(16)2)11-8-15(14)9-12-17/h13-16H,3-12H2,1-2H3
InChIKeyKWLGXHKPQQHGSP-UHFFFAOYSA-N
MW234.43 g/mol
LogP5.42
Rot. Bonds3

About 1-(2-methylcyclobutyl)-4-propylbicyclo[3.2.2]nonane

1-(2-methylcyclobutyl)-4-propylbicyclo[3.2.2]nonane (PubChem CID 163726966) has the molecular formula C17H30 and a molecular weight of 234.43 g/mol. Its IUPAC name is 1-(2-methylcyclobutyl)-4-propylbicyclo[3.2.2]nonane.

Molecular Properties

Compound Name1-(2-methylcyclobutyl)-4-propylbicyclo[3.2.2]nonane
PubChem CID163726966
Molecular FormulaC17H30
Molecular Weight234.43 g/mol
Exact Mass234.23
IUPAC Name1-(2-methylcyclobutyl)-4-propylbicyclo[3.2.2]nonane
SMILESCCCC1CCC2(C3CCC3C)CCC1CC2
InChIInChI=1S/C17H30/c1-3-4-14-7-10-17(16-6-5-13(16)2)11-8-15(14)9-12-17/h13-16H,3-12H2,1-2H3
InChIKeyKWLGXHKPQQHGSP-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.43
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1R)-1-methyl-2,3-dipropylcyclopentane
CID 168721749
1,2,4-trimethyl-5-propylcyclohexane
CID 20777497
ethene;1,1,2-trimethyl-3-propylcyclopentane
CID 145109296
ethane;1-methyl-2-propylcyclopropane
CID 144710386
2-methyl-1,3-dipropylcyclopentane
CID 90887551
2-methyl-5-[(1R)-2-propylcyclobutyl]bicyclo[4.2.0]octane
CID 163492978
5-methyl-6-propylspiro[2.4]heptane
CID 91059551
ethane;1,2,4-trimethyl-5-propylcyclohexane
CID 156835083
(6S)-N,6-dimethyl-4-propylbicyclo[3.1.0]hexan-1-amine
CID 159111888
cis-(1S,2R)-1,2-dipropylcyclohexane
CID 143217114
2-methyl-6-propylbicyclo[2.2.0]hexane
CID 123694094
1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexane-1-carbonitrile
CID 18643225

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclobutyl)-4-propylbicyclo[3.2.2]nonane?
The IUPAC name of 1-(2-methylcyclobutyl)-4-propylbicyclo[3.2.2]nonane (CID 163726966) is 1-(2-methylcyclobutyl)-4-propylbicyclo[3.2.2]nonane.
What is the SMILES notation for 1-(2-methylcyclobutyl)-4-propylbicyclo[3.2.2]nonane?
The canonical SMILES for 1-(2-methylcyclobutyl)-4-propylbicyclo[3.2.2]nonane is CCCC1CCC2(C3CCC3C)CCC1CC2.
What is the InChIKey of 1-(2-methylcyclobutyl)-4-propylbicyclo[3.2.2]nonane?
The InChIKey is KWLGXHKPQQHGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30/c1-3-4-14-7-10-17(16-6-5-13(16)2)11-8-15(14)9-12-17/h13-16H,3-12H2,1-2H3.
What are the key properties of 1-(2-methylcyclobutyl)-4-propylbicyclo[3.2.2]nonane?
1-(2-methylcyclobutyl)-4-propylbicyclo[3.2.2]nonane has a molecular weight of 234.43 g/mol, XLogP of 5.42, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclobutyl)-4-propylbicyclo[3.2.2]nonane is sourced from PubChem (CID 163726966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).