[(1R,2R)-2-butoxy-2-methylcyclopropyl]benzene

C14H20O — CID 102422403

IUPAC[(1R,2R)-2-butoxy-2-methylcyclopropyl]benzene
SMILESCCCCO[C@]1(C)C[C@@H]1c1ccccc1
InChIInChI=1S/C14H20O/c1-3-4-10-15-14(2)11-13(14)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3/t13-,14-/m1/s1
InChIKeyGVQJZSFFHNOXFM-ZIAGYGMSSA-N
MW204.31 g/mol
LogP3.75
Rot. Bonds5

About [(1R,2R)-2-butoxy-2-methylcyclopropyl]benzene

[(1R,2R)-2-butoxy-2-methylcyclopropyl]benzene (PubChem CID 102422403) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is [(1R,2R)-2-butoxy-2-methylcyclopropyl]benzene.

Molecular Properties

Compound Name[(1R,2R)-2-butoxy-2-methylcyclopropyl]benzene
PubChem CID102422403
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name[(1R,2R)-2-butoxy-2-methylcyclopropyl]benzene
SMILESCCCCO[C@]1(C)C[C@@H]1c1ccccc1
InChIInChI=1S/C14H20O/c1-3-4-10-15-14(2)11-13(14)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3/t13-,14-/m1/s1
InChIKeyGVQJZSFFHNOXFM-ZIAGYGMSSA-N
XLogP3.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-2-butoxycyclopropyl]benzene
CID 90226086
[(1R,2R)-2-butoxycyclopropyl]benzene
CID 13263839
[(1R,2S)-2-butoxycyclopropyl]benzene
CID 13263840
trans-(1S,2S)-1-butyl-2-phenylcyclopropan-1-ol
CID 101173351
(5-ethoxy-2,2-dimethyl-5-propoxycyclohexyl)benzene
CID 90277407
3-butoxy-1,3-difluoro-6-phenylcyclohexa-1,4-diene
CID 67939834
dipropyl (2S)-2-phenylcyclopropane-1,1-dicarboxylate
CID 169410245
[(2R)-2-bromo-2-methylcyclopropyl]benzene
CID 166445339
[(1R,2S)-1-methyl-2-phenylcyclopropyl]methanol
CID 10607081
[(2R)-2-butyl-2-prop-2-enylcyclopropyl]benzene
CID 101032196
[(1S,2S)-2-ethyl-2-(3-methylbutoxy)cyclopropyl]benzene
CID 102422416
(2-butyl-1-phenoxycyclopropyl)oxybenzene
CID 11065916

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-butoxy-2-methylcyclopropyl]benzene?
The IUPAC name of [(1R,2R)-2-butoxy-2-methylcyclopropyl]benzene (CID 102422403) is [(1R,2R)-2-butoxy-2-methylcyclopropyl]benzene.
What is the SMILES notation for [(1R,2R)-2-butoxy-2-methylcyclopropyl]benzene?
The canonical SMILES for [(1R,2R)-2-butoxy-2-methylcyclopropyl]benzene is CCCCO[C@]1(C)C[C@@H]1c1ccccc1.
What is the InChIKey of [(1R,2R)-2-butoxy-2-methylcyclopropyl]benzene?
The InChIKey is GVQJZSFFHNOXFM-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H20O/c1-3-4-10-15-14(2)11-13(14)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3/t13-,14-/m1/s1.
What are the key properties of [(1R,2R)-2-butoxy-2-methylcyclopropyl]benzene?
[(1R,2R)-2-butoxy-2-methylcyclopropyl]benzene has a molecular weight of 204.31 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-butoxy-2-methylcyclopropyl]benzene is sourced from PubChem (CID 102422403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).