1-methyl-2-pentylbicyclo[1.1.0]butane

C10H18 — CID 90877052

IUPAC1-methyl-2-pentylbicyclo[1.1.0]butane
SMILESCCCCCC1C2CC12C
InChIInChI=1S/C10H18/c1-3-4-5-6-8-9-7-10(8,9)2/h8-9H,3-7H2,1-2H3
InChIKeyWHOIRMVTLCOPTL-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.22
Rot. Bonds4

About 1-methyl-2-pentylbicyclo[1.1.0]butane

1-methyl-2-pentylbicyclo[1.1.0]butane (PubChem CID 90877052) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 1-methyl-2-pentylbicyclo[1.1.0]butane.

Molecular Properties

Compound Name1-methyl-2-pentylbicyclo[1.1.0]butane
PubChem CID90877052
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name1-methyl-2-pentylbicyclo[1.1.0]butane
SMILESCCCCCC1C2CC12C
InChIInChI=1S/C10H18/c1-3-4-5-6-8-9-7-10(8,9)2/h8-9H,3-7H2,1-2H3
InChIKeyWHOIRMVTLCOPTL-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.22
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

3-ethyl-1,1-dimethyl-2-nonylcyclobutane
CID 174441233
1-methyl-2-pentylcyclopropan-1-ol
CID 15701982
1,1-dimethyl-2-octylcyclopropane
CID 15329257
4-decyl-1,1,2,2-tetramethylcyclopentane
CID 151279869
2,6-dihexylspiro[3.3]heptane
CID 58679549
1,1-dibromo-2-octylcyclopropane
CID 2780238
1,1-dichloro-2-octylcyclopropane
CID 10799099
(2R)-1,1-difluoro-2-octylcyclopropane
CID 122227717
6-pentyladamantane-1,3,5-triol
CID 139994697
N-ethyl-1-methyl-2-pentylcyclopropan-1-amine
CID 123705841
2,2-dimethyl-4-pentylpyrrolidine
CID 171473094
hexane;pentylcyclopropane
CID 159592467

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-pentylbicyclo[1.1.0]butane?
The IUPAC name of 1-methyl-2-pentylbicyclo[1.1.0]butane (CID 90877052) is 1-methyl-2-pentylbicyclo[1.1.0]butane.
What is the SMILES notation for 1-methyl-2-pentylbicyclo[1.1.0]butane?
The canonical SMILES for 1-methyl-2-pentylbicyclo[1.1.0]butane is CCCCCC1C2CC12C.
What is the InChIKey of 1-methyl-2-pentylbicyclo[1.1.0]butane?
The InChIKey is WHOIRMVTLCOPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-3-4-5-6-8-9-7-10(8,9)2/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-methyl-2-pentylbicyclo[1.1.0]butane?
1-methyl-2-pentylbicyclo[1.1.0]butane has a molecular weight of 138.25 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-pentylbicyclo[1.1.0]butane is sourced from PubChem (CID 90877052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).