1-(2,3,9-trimethyl-6-propan-2-ylcyclononyl)bicyclo[2.1.0]pentane

C20H36 — CID 123608076

IUPAC1-(2,3,9-trimethyl-6-propan-2-ylcyclononyl)bicyclo[2.1.0]pentane
SMILESCC(C)C1CCC(C)C(C)C(C23CCC2C3)C(C)CC1
InChIInChI=1S/C20H36/c1-13(2)17-8-6-14(3)16(5)19(15(4)7-9-17)20-11-10-18(20)12-20/h13-19H,6-12H2,1-5H3
InChIKeyPAZZHRHDANXFRB-UHFFFAOYSA-N
MW276.51 g/mol
LogP6.16
Rot. Bonds2

About 1-(2,3,9-trimethyl-6-propan-2-ylcyclononyl)bicyclo[2.1.0]pentane

1-(2,3,9-trimethyl-6-propan-2-ylcyclononyl)bicyclo[2.1.0]pentane (PubChem CID 123608076) has the molecular formula C20H36 and a molecular weight of 276.51 g/mol. Its IUPAC name is 1-(2,3,9-trimethyl-6-propan-2-ylcyclononyl)bicyclo[2.1.0]pentane.

Molecular Properties

Compound Name1-(2,3,9-trimethyl-6-propan-2-ylcyclononyl)bicyclo[2.1.0]pentane
PubChem CID123608076
Molecular FormulaC20H36
Molecular Weight276.51 g/mol
Exact Mass276.28
IUPAC Name1-(2,3,9-trimethyl-6-propan-2-ylcyclononyl)bicyclo[2.1.0]pentane
SMILESCC(C)C1CCC(C)C(C)C(C23CCC2C3)C(C)CC1
InChIInChI=1S/C20H36/c1-13(2)17-8-6-14(3)16(5)19(15(4)7-9-17)20-11-10-18(20)12-20/h13-19H,6-12H2,1-5H3
InChIKeyPAZZHRHDANXFRB-UHFFFAOYSA-N
XLogP6.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.51
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

methane;1-methyl-4-propan-2-ylcyclohexane
CID 178082994
7-methyltricyclo[4.3.0.01,3]nonane
CID 123597135
propan-2-ylcyclopropane;hydroiodide
CID 162314014
(1R,3S,7R)-4-methyltricyclo[5.1.0.01,3]octane
CID 163918664
1,2-dimethyl-3-propan-2-ylcyclopentane
CID 544190
(7R)-10-methyl-7-propan-2-ylspiro[4.5]decane;(7S)-10-methyl-7-propan-2-ylspiro[4.5]decane;(7S,10S)-10-methyl-7-propan-2-ylspiro[4.5]decane;(7R,10R)-10-methyl-7-propan-2-ylspiro[4.5]decane
CID 161061988
cis-(1S,3R)-1,2,3-trimethylcyclopentane
CID 6427077
cis-(1S,5R)-2-methyl-5-propan-2-ylcyclohexan-1-ol
CID 168820123
CID 174063087
CID 174063087
1,2,3,4-tetramethyl-6-propan-2-ylcycloheptane
CID 90791175
2-ethyl-1-(4-propan-2-ylcyclohexyl)cyclopropan-1-amine
CID 79332349
1,2-dimethylcyclobutane;2-methylpropane
CID 143728444

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,9-trimethyl-6-propan-2-ylcyclononyl)bicyclo[2.1.0]pentane?
The IUPAC name of 1-(2,3,9-trimethyl-6-propan-2-ylcyclononyl)bicyclo[2.1.0]pentane (CID 123608076) is 1-(2,3,9-trimethyl-6-propan-2-ylcyclononyl)bicyclo[2.1.0]pentane.
What is the SMILES notation for 1-(2,3,9-trimethyl-6-propan-2-ylcyclononyl)bicyclo[2.1.0]pentane?
The canonical SMILES for 1-(2,3,9-trimethyl-6-propan-2-ylcyclononyl)bicyclo[2.1.0]pentane is CC(C)C1CCC(C)C(C)C(C23CCC2C3)C(C)CC1.
What is the InChIKey of 1-(2,3,9-trimethyl-6-propan-2-ylcyclononyl)bicyclo[2.1.0]pentane?
The InChIKey is PAZZHRHDANXFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36/c1-13(2)17-8-6-14(3)16(5)19(15(4)7-9-17)20-11-10-18(20)12-20/h13-19H,6-12H2,1-5H3.
What are the key properties of 1-(2,3,9-trimethyl-6-propan-2-ylcyclononyl)bicyclo[2.1.0]pentane?
1-(2,3,9-trimethyl-6-propan-2-ylcyclononyl)bicyclo[2.1.0]pentane has a molecular weight of 276.51 g/mol, XLogP of 6.16, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,9-trimethyl-6-propan-2-ylcyclononyl)bicyclo[2.1.0]pentane is sourced from PubChem (CID 123608076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).