1-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl]-4-(methoxymethyl)benzene

C18H26O — CID 141021415

IUPAC1-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl]-4-(methoxymethyl)benzene
SMILESCOCc1ccc(CC2C(C=C(C)C)C2(C)C)cc1
InChIInChI=1S/C18H26O/c1-13(2)10-16-17(18(16,3)4)11-14-6-8-15(9-7-14)12-19-5/h6-10,16-17H,11-12H2,1-5H3
InChIKeyVDCGNHRNJVVMJG-UHFFFAOYSA-N
MW258.40 g/mol
LogP4.61
Rot. Bonds5

About 1-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl]-4-(methoxymethyl)benzene

1-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl]-4-(methoxymethyl)benzene (PubChem CID 141021415) has the molecular formula C18H26O and a molecular weight of 258.40 g/mol. Its IUPAC name is 1-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl]-4-(methoxymethyl)benzene.

Molecular Properties

Compound Name1-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl]-4-(methoxymethyl)benzene
PubChem CID141021415
Molecular FormulaC18H26O
Molecular Weight258.40 g/mol
Exact Mass258.20
IUPAC Name1-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl]-4-(methoxymethyl)benzene
SMILESCOCc1ccc(CC2C(C=C(C)C)C2(C)C)cc1
InChIInChI=1S/C18H26O/c1-13(2)10-16-17(18(16,3)4)11-14-6-8-15(9-7-14)12-19-5/h6-10,16-17H,11-12H2,1-5H3
InChIKeyVDCGNHRNJVVMJG-UHFFFAOYSA-N
XLogP4.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl]-4-(methoxymethyl)benzene?
The IUPAC name of 1-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl]-4-(methoxymethyl)benzene (CID 141021415) is 1-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl]-4-(methoxymethyl)benzene.
What is the SMILES notation for 1-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl]-4-(methoxymethyl)benzene?
The canonical SMILES for 1-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl]-4-(methoxymethyl)benzene is COCc1ccc(CC2C(C=C(C)C)C2(C)C)cc1.
What is the InChIKey of 1-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl]-4-(methoxymethyl)benzene?
The InChIKey is VDCGNHRNJVVMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O/c1-13(2)10-16-17(18(16,3)4)11-14-6-8-15(9-7-14)12-19-5/h6-10,16-17H,11-12H2,1-5H3.
What are the key properties of 1-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl]-4-(methoxymethyl)benzene?
1-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl]-4-(methoxymethyl)benzene has a molecular weight of 258.40 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl]-4-(methoxymethyl)benzene is sourced from PubChem (CID 141021415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).