[(1R,2R)-1-methyl-2-(3-methylbutyl)cyclopropyl]benzene

C15H22 — CID 166439838

IUPAC[(1R,2R)-1-methyl-2-(3-methylbutyl)cyclopropyl]benzene
SMILESCC(C)CC[C@@H]1C[C@@]1(C)c1ccccc1
InChIInChI=1S/C15H22/c1-12(2)9-10-14-11-15(14,3)13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3/t14-,15+/m1/s1
InChIKeyHNAYDBSJYDHGGR-CABCVRRESA-N
MW202.34 g/mol
LogP4.40
Rot. Bonds4

About [(1R,2R)-1-methyl-2-(3-methylbutyl)cyclopropyl]benzene

[(1R,2R)-1-methyl-2-(3-methylbutyl)cyclopropyl]benzene (PubChem CID 166439838) has the molecular formula C15H22 and a molecular weight of 202.34 g/mol. Its IUPAC name is [(1R,2R)-1-methyl-2-(3-methylbutyl)cyclopropyl]benzene.

Molecular Properties

Compound Name[(1R,2R)-1-methyl-2-(3-methylbutyl)cyclopropyl]benzene
PubChem CID166439838
Molecular FormulaC15H22
Molecular Weight202.34 g/mol
Exact Mass202.17
IUPAC Name[(1R,2R)-1-methyl-2-(3-methylbutyl)cyclopropyl]benzene
SMILESCC(C)CC[C@@H]1C[C@@]1(C)c1ccccc1
InChIInChI=1S/C15H22/c1-12(2)9-10-14-11-15(14,3)13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3/t14-,15+/m1/s1
InChIKeyHNAYDBSJYDHGGR-CABCVRRESA-N
XLogP4.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-1-methyl-2-(3-methylbutyl)cyclopropyl]benzene?
The IUPAC name of [(1R,2R)-1-methyl-2-(3-methylbutyl)cyclopropyl]benzene (CID 166439838) is [(1R,2R)-1-methyl-2-(3-methylbutyl)cyclopropyl]benzene.
What is the SMILES notation for [(1R,2R)-1-methyl-2-(3-methylbutyl)cyclopropyl]benzene?
The canonical SMILES for [(1R,2R)-1-methyl-2-(3-methylbutyl)cyclopropyl]benzene is CC(C)CC[C@@H]1C[C@@]1(C)c1ccccc1.
What is the InChIKey of [(1R,2R)-1-methyl-2-(3-methylbutyl)cyclopropyl]benzene?
The InChIKey is HNAYDBSJYDHGGR-CABCVRRESA-N. The full InChI is InChI=1S/C15H22/c1-12(2)9-10-14-11-15(14,3)13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3/t14-,15+/m1/s1.
What are the key properties of [(1R,2R)-1-methyl-2-(3-methylbutyl)cyclopropyl]benzene?
[(1R,2R)-1-methyl-2-(3-methylbutyl)cyclopropyl]benzene has a molecular weight of 202.34 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-1-methyl-2-(3-methylbutyl)cyclopropyl]benzene is sourced from PubChem (CID 166439838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).