2-decylbicyclo[1.1.0]butane

C14H26 — CID 123632675

IUPAC2-decylbicyclo[1.1.0]butane
SMILESCCCCCCCCCCC1C2CC12
InChIInChI=1S/C14H26/c1-2-3-4-5-6-7-8-9-10-12-13-11-14(12)13/h12-14H,2-11H2,1H3
InChIKeyJRWGUELXBGHSDO-UHFFFAOYSA-N
MW194.36 g/mol
LogP4.78
Rot. Bonds9

About 2-decylbicyclo[1.1.0]butane

2-decylbicyclo[1.1.0]butane (PubChem CID 123632675) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is 2-decylbicyclo[1.1.0]butane.

Molecular Properties

Compound Name2-decylbicyclo[1.1.0]butane
PubChem CID123632675
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name2-decylbicyclo[1.1.0]butane
SMILESCCCCCCCCCCC1C2CC12
InChIInChI=1S/C14H26/c1-2-3-4-5-6-7-8-9-10-12-13-11-14(12)13/h12-14H,2-11H2,1H3
InChIKeyJRWGUELXBGHSDO-UHFFFAOYSA-N
XLogP4.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.36
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,3-dimethyl-2-pentylcyclobutane
CID 91222798
2-butyl-3,4-dimethylbicyclo[3.1.0]hexane
CID 123902108
1-hexyl-2-undecylcyclopropane
CID 58049498
1,2-dioctylcyclopropane
CID 21337627
1-heptyl-2,3,4,5-tetramethylcyclopentane
CID 59076832
2-hexyl-4-methylbicyclo[3.1.0]hexane
CID 163738205
2-nonylcyclopentane-1,3-diol
CID 163304158
[12,18-bis(aminomethyl)-37-decyl-33-hexyl-39-methyl-25-nonyl-29-undecyl-2,4,8,10,14,16,20,22-octaoxanonacyclo[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]tetracontan-6-yl]methanamine
CID 5232564
1,2-dimethyl-3-pentylcyclopropane
CID 524654
1-propyl-2-undecylcyclopropane
CID 123636027
1-methyl-2-pentadecylcyclopropane
CID 54385825
1,4-dihexylcyclohexane
CID 22947938

Frequently Asked Questions

What is the IUPAC name of 2-decylbicyclo[1.1.0]butane?
The IUPAC name of 2-decylbicyclo[1.1.0]butane (CID 123632675) is 2-decylbicyclo[1.1.0]butane.
What is the SMILES notation for 2-decylbicyclo[1.1.0]butane?
The canonical SMILES for 2-decylbicyclo[1.1.0]butane is CCCCCCCCCCC1C2CC12.
What is the InChIKey of 2-decylbicyclo[1.1.0]butane?
The InChIKey is JRWGUELXBGHSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26/c1-2-3-4-5-6-7-8-9-10-12-13-11-14(12)13/h12-14H,2-11H2,1H3.
What are the key properties of 2-decylbicyclo[1.1.0]butane?
2-decylbicyclo[1.1.0]butane has a molecular weight of 194.36 g/mol, XLogP of 4.78, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decylbicyclo[1.1.0]butane is sourced from PubChem (CID 123632675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).