1,7-dimethyl-7-propan-2-yl-5-propylbicyclo[6.2.0]decane

C18H34 — CID 123925598

IUPAC1,7-dimethyl-7-propan-2-yl-5-propylbicyclo[6.2.0]decane
SMILESCCCC1CCCC2(C)CCC2C(C)(C(C)C)C1
InChIInChI=1S/C18H34/c1-6-8-15-9-7-11-17(4)12-10-16(17)18(5,13-15)14(2)3/h14-16H,6-13H2,1-5H3
InChIKeyVLKROPCXZOQMTK-UHFFFAOYSA-N
MW250.47 g/mol
LogP6.06
Rot. Bonds3

About 1,7-dimethyl-7-propan-2-yl-5-propylbicyclo[6.2.0]decane

1,7-dimethyl-7-propan-2-yl-5-propylbicyclo[6.2.0]decane (PubChem CID 123925598) has the molecular formula C18H34 and a molecular weight of 250.47 g/mol. Its IUPAC name is 1,7-dimethyl-7-propan-2-yl-5-propylbicyclo[6.2.0]decane.

Molecular Properties

Compound Name1,7-dimethyl-7-propan-2-yl-5-propylbicyclo[6.2.0]decane
PubChem CID123925598
Molecular FormulaC18H34
Molecular Weight250.47 g/mol
Exact Mass250.27
IUPAC Name1,7-dimethyl-7-propan-2-yl-5-propylbicyclo[6.2.0]decane
SMILESCCCC1CCCC2(C)CCC2C(C)(C(C)C)C1
InChIInChI=1S/C18H34/c1-6-8-15-9-7-11-17(4)12-10-16(17)18(5,13-15)14(2)3/h14-16H,6-13H2,1-5H3
InChIKeyVLKROPCXZOQMTK-UHFFFAOYSA-N
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.47
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-propylcyclohexane-1,1-diamine
CID 141388820
1-propan-2-yl-4-propylcycloheptan-1-amine
CID 65086543
1-methyl-1-propan-2-yl-3-propylcyclobutane
CID 91462890
6-propyl-2-azaspiro[3.5]nonane
CID 170593809
1-(3-butyl-1-methylcyclohexyl)ethanamine
CID 167255751
ethane;(3S)-3-propylspiro[4.4]nonane
CID 177054830
1,1-dimethyl-4-propylcyclotridecane
CID 123608299
1-[[(8R)-2-propylspiro[3.5]nonan-8-yl]methoxy]ethanamine
CID 134243866
propylcyclotetradecane
CID 90991550
5-heptyl-1-methylbicyclo[5.1.0]octane
CID 143295924
1-methyl-3-(3-methylbutyl)cyclohexan-1-ol
CID 18356810
1,1-dimethyl-3-propylcyclobutane
CID 19073360

Frequently Asked Questions

What is the IUPAC name of 1,7-dimethyl-7-propan-2-yl-5-propylbicyclo[6.2.0]decane?
The IUPAC name of 1,7-dimethyl-7-propan-2-yl-5-propylbicyclo[6.2.0]decane (CID 123925598) is 1,7-dimethyl-7-propan-2-yl-5-propylbicyclo[6.2.0]decane.
What is the SMILES notation for 1,7-dimethyl-7-propan-2-yl-5-propylbicyclo[6.2.0]decane?
The canonical SMILES for 1,7-dimethyl-7-propan-2-yl-5-propylbicyclo[6.2.0]decane is CCCC1CCCC2(C)CCC2C(C)(C(C)C)C1.
What is the InChIKey of 1,7-dimethyl-7-propan-2-yl-5-propylbicyclo[6.2.0]decane?
The InChIKey is VLKROPCXZOQMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34/c1-6-8-15-9-7-11-17(4)12-10-16(17)18(5,13-15)14(2)3/h14-16H,6-13H2,1-5H3.
What are the key properties of 1,7-dimethyl-7-propan-2-yl-5-propylbicyclo[6.2.0]decane?
1,7-dimethyl-7-propan-2-yl-5-propylbicyclo[6.2.0]decane has a molecular weight of 250.47 g/mol, XLogP of 6.06, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethyl-7-propan-2-yl-5-propylbicyclo[6.2.0]decane is sourced from PubChem (CID 123925598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).