2-methyl-1-(2-methyloctan-3-yl)-3-(2-methylpropyl)bicyclo[1.1.0]butane

C18H34 — CID 123511634

IUPAC2-methyl-1-(2-methyloctan-3-yl)-3-(2-methylpropyl)bicyclo[1.1.0]butane
SMILESCCCCCC(C(C)C)C12CC1(CC(C)C)C2C
InChIInChI=1S/C18H34/c1-7-8-9-10-16(14(4)5)18-12-17(18,15(18)6)11-13(2)3/h13-16H,7-12H2,1-6H3
InChIKeyHJWQWKLUSPEDGF-UHFFFAOYSA-N
MW250.47 g/mol
LogP5.91
Rot. Bonds8

About 2-methyl-1-(2-methyloctan-3-yl)-3-(2-methylpropyl)bicyclo[1.1.0]butane

2-methyl-1-(2-methyloctan-3-yl)-3-(2-methylpropyl)bicyclo[1.1.0]butane (PubChem CID 123511634) has the molecular formula C18H34 and a molecular weight of 250.47 g/mol. Its IUPAC name is 2-methyl-1-(2-methyloctan-3-yl)-3-(2-methylpropyl)bicyclo[1.1.0]butane.

Molecular Properties

Compound Name2-methyl-1-(2-methyloctan-3-yl)-3-(2-methylpropyl)bicyclo[1.1.0]butane
PubChem CID123511634
Molecular FormulaC18H34
Molecular Weight250.47 g/mol
Exact Mass250.27
IUPAC Name2-methyl-1-(2-methyloctan-3-yl)-3-(2-methylpropyl)bicyclo[1.1.0]butane
SMILESCCCCCC(C(C)C)C12CC1(CC(C)C)C2C
InChIInChI=1S/C18H34/c1-7-8-9-10-16(14(4)5)18-12-17(18,15(18)6)11-13(2)3/h13-16H,7-12H2,1-6H3
InChIKeyHJWQWKLUSPEDGF-UHFFFAOYSA-N
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.47
LogP ≤ 55.91
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

mercury;2-methylheptane
CID 175108338
2-methylpentaoctacontane
CID 90745672
bis(2-methylheptane);propane
CID 158714851
2-methyldecane
CID 23415
2-methyltetratriacontane
CID 14275207
λ2-plumbane;2-methylheptane
CID 175297432
cobalt;2-methylheptane
CID 175521472
2-methyloctacosane
CID 519147
1-methyl-2-(2-methyloctan-3-yl)cyclopropane
CID 123773820
1-heptan-2-yl-2-methylcyclopropane
CID 91084036
1-[1-(2-methylpropyl)cyclopentyl]hexan-1-amine
CID 115837142
methane;2-methylicosane
CID 157337652

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methyloctan-3-yl)-3-(2-methylpropyl)bicyclo[1.1.0]butane?
The IUPAC name of 2-methyl-1-(2-methyloctan-3-yl)-3-(2-methylpropyl)bicyclo[1.1.0]butane (CID 123511634) is 2-methyl-1-(2-methyloctan-3-yl)-3-(2-methylpropyl)bicyclo[1.1.0]butane.
What is the SMILES notation for 2-methyl-1-(2-methyloctan-3-yl)-3-(2-methylpropyl)bicyclo[1.1.0]butane?
The canonical SMILES for 2-methyl-1-(2-methyloctan-3-yl)-3-(2-methylpropyl)bicyclo[1.1.0]butane is CCCCCC(C(C)C)C12CC1(CC(C)C)C2C.
What is the InChIKey of 2-methyl-1-(2-methyloctan-3-yl)-3-(2-methylpropyl)bicyclo[1.1.0]butane?
The InChIKey is HJWQWKLUSPEDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34/c1-7-8-9-10-16(14(4)5)18-12-17(18,15(18)6)11-13(2)3/h13-16H,7-12H2,1-6H3.
What are the key properties of 2-methyl-1-(2-methyloctan-3-yl)-3-(2-methylpropyl)bicyclo[1.1.0]butane?
2-methyl-1-(2-methyloctan-3-yl)-3-(2-methylpropyl)bicyclo[1.1.0]butane has a molecular weight of 250.47 g/mol, XLogP of 5.91, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methyloctan-3-yl)-3-(2-methylpropyl)bicyclo[1.1.0]butane is sourced from PubChem (CID 123511634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).