5-(2-methylbutyl)-2-(7-propan-2-ylcyclohepta-1,4,6-trien-1-yl)bicyclo[2.1.0]pentane

C20H30 — CID 123683273

IUPAC5-(2-methylbutyl)-2-(7-propan-2-ylcyclohepta-1,4,6-trien-1-yl)bicyclo[2.1.0]pentane
SMILESCCC(C)CC1C2CC(C3=CCC=CC=C3C(C)C)C12
InChIInChI=1S/C20H30/c1-5-14(4)11-17-19-12-18(20(17)19)16-10-8-6-7-9-15(16)13(2)3/h6-7,9-10,13-14,17-20H,5,8,11-12H2,1-4H3
InChIKeyIMTPUCGRNYYKQE-UHFFFAOYSA-N
MW270.46 g/mol
LogP5.77
Rot. Bonds5

About 5-(2-methylbutyl)-2-(7-propan-2-ylcyclohepta-1,4,6-trien-1-yl)bicyclo[2.1.0]pentane

5-(2-methylbutyl)-2-(7-propan-2-ylcyclohepta-1,4,6-trien-1-yl)bicyclo[2.1.0]pentane (PubChem CID 123683273) has the molecular formula C20H30 and a molecular weight of 270.46 g/mol. Its IUPAC name is 5-(2-methylbutyl)-2-(7-propan-2-ylcyclohepta-1,4,6-trien-1-yl)bicyclo[2.1.0]pentane.

Molecular Properties

Compound Name5-(2-methylbutyl)-2-(7-propan-2-ylcyclohepta-1,4,6-trien-1-yl)bicyclo[2.1.0]pentane
PubChem CID123683273
Molecular FormulaC20H30
Molecular Weight270.46 g/mol
Exact Mass270.23
IUPAC Name5-(2-methylbutyl)-2-(7-propan-2-ylcyclohepta-1,4,6-trien-1-yl)bicyclo[2.1.0]pentane
SMILESCCC(C)CC1C2CC(C3=CCC=CC=C3C(C)C)C12
InChIInChI=1S/C20H30/c1-5-14(4)11-17-19-12-18(20(17)19)16-10-8-6-7-9-15(16)13(2)3/h6-7,9-10,13-14,17-20H,5,8,11-12H2,1-4H3
InChIKeyIMTPUCGRNYYKQE-UHFFFAOYSA-N
XLogP5.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.46
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 5-(2-methylbutyl)-2-(7-propan-2-ylcyclohepta-1,4,6-trien-1-yl)bicyclo[2.1.0]pentane with MolForge

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Related Compounds

ethane;1-methoxy-2-methylpropane;2-methyl-3-propan-2-ylcyclohepta-1,3,5-triene
CID 143413618
1-ethyl-3-methyl-2-(2-methylbutyl)cyclobutane
CID 90801138
1-methyl-2-(2-methylbutyl)cyclopropane
CID 91076617
1-(5-methylheptan-2-yl)cyclopenta-1,3-diene
CID 163645730
(6R)-1-butan-2-yl-6-methylcyclohexa-1,3-diene
CID 142008819
1-(2-methylbutyl)cyclopenta-1,3-diene
CID 12615007
2-methyl-N-(2-methylcyclohexa-2,4-dien-1-yl)butan-1-imine
CID 143083456
2-methyl-4-nitroso-2,3,4,8-tetrahydrocyclohepta[b]pyran
CID 91187307
1-methyl-5-(2-methylbutyl)cyclopentene
CID 163754546
4-methyl-1-(2,2,3-trimethylcyclopent-3-en-1-yl)hexan-2-ol
CID 68811577
1-(2-methylpropyl)cyclopenta-1,3-diene
CID 528164
1-cyclohepta-1,4,6-trien-1-yl-N-ethylethanamine
CID 142256460

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylbutyl)-2-(7-propan-2-ylcyclohepta-1,4,6-trien-1-yl)bicyclo[2.1.0]pentane?
The IUPAC name of 5-(2-methylbutyl)-2-(7-propan-2-ylcyclohepta-1,4,6-trien-1-yl)bicyclo[2.1.0]pentane (CID 123683273) is 5-(2-methylbutyl)-2-(7-propan-2-ylcyclohepta-1,4,6-trien-1-yl)bicyclo[2.1.0]pentane.
What is the SMILES notation for 5-(2-methylbutyl)-2-(7-propan-2-ylcyclohepta-1,4,6-trien-1-yl)bicyclo[2.1.0]pentane?
The canonical SMILES for 5-(2-methylbutyl)-2-(7-propan-2-ylcyclohepta-1,4,6-trien-1-yl)bicyclo[2.1.0]pentane is CCC(C)CC1C2CC(C3=CCC=CC=C3C(C)C)C12.
What is the InChIKey of 5-(2-methylbutyl)-2-(7-propan-2-ylcyclohepta-1,4,6-trien-1-yl)bicyclo[2.1.0]pentane?
The InChIKey is IMTPUCGRNYYKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30/c1-5-14(4)11-17-19-12-18(20(17)19)16-10-8-6-7-9-15(16)13(2)3/h6-7,9-10,13-14,17-20H,5,8,11-12H2,1-4H3.
What are the key properties of 5-(2-methylbutyl)-2-(7-propan-2-ylcyclohepta-1,4,6-trien-1-yl)bicyclo[2.1.0]pentane?
5-(2-methylbutyl)-2-(7-propan-2-ylcyclohepta-1,4,6-trien-1-yl)bicyclo[2.1.0]pentane has a molecular weight of 270.46 g/mol, XLogP of 5.77, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylbutyl)-2-(7-propan-2-ylcyclohepta-1,4,6-trien-1-yl)bicyclo[2.1.0]pentane is sourced from PubChem (CID 123683273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).