[(1R)-1-[2-methyl-2-(3-methylbut-1-en-2-yloxymethyl)cyclopropyl]ethyl]benzene

C18H26O — CID 126633442

IUPAC[(1R)-1-[2-methyl-2-(3-methylbut-1-en-2-yloxymethyl)cyclopropyl]ethyl]benzene
SMILESC=C(OCC1(C)CC1[C@@H](C)c1ccccc1)C(C)C
InChIInChI=1S/C18H26O/c1-13(2)15(4)19-12-18(5)11-17(18)14(3)16-9-7-6-8-10-16/h6-10,13-14,17H,4,11-12H2,1-3,5H3/t14-,17?,18?/m0/s1
InChIKeyZAMYWSYGURSWKM-NNGSBXSVSA-N
MW258.40 g/mol
LogP5.00
Rot. Bonds6

About [(1R)-1-[2-methyl-2-(3-methylbut-1-en-2-yloxymethyl)cyclopropyl]ethyl]benzene

[(1R)-1-[2-methyl-2-(3-methylbut-1-en-2-yloxymethyl)cyclopropyl]ethyl]benzene (PubChem CID 126633442) has the molecular formula C18H26O and a molecular weight of 258.40 g/mol. Its IUPAC name is [(1R)-1-[2-methyl-2-(3-methylbut-1-en-2-yloxymethyl)cyclopropyl]ethyl]benzene.

Molecular Properties

Compound Name[(1R)-1-[2-methyl-2-(3-methylbut-1-en-2-yloxymethyl)cyclopropyl]ethyl]benzene
PubChem CID126633442
Molecular FormulaC18H26O
Molecular Weight258.40 g/mol
Exact Mass258.20
IUPAC Name[(1R)-1-[2-methyl-2-(3-methylbut-1-en-2-yloxymethyl)cyclopropyl]ethyl]benzene
SMILESC=C(OCC1(C)CC1[C@@H](C)c1ccccc1)C(C)C
InChIInChI=1S/C18H26O/c1-13(2)15(4)19-12-18(5)11-17(18)14(3)16-9-7-6-8-10-16/h6-10,13-14,17H,4,11-12H2,1-3,5H3/t14-,17?,18?/m0/s1
InChIKeyZAMYWSYGURSWKM-NNGSBXSVSA-N
XLogP5.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.40
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[2-methyl-2-(3-methylbut-1-en-2-yloxymethyl)cyclopropyl]ethyl]benzene?
The IUPAC name of [(1R)-1-[2-methyl-2-(3-methylbut-1-en-2-yloxymethyl)cyclopropyl]ethyl]benzene (CID 126633442) is [(1R)-1-[2-methyl-2-(3-methylbut-1-en-2-yloxymethyl)cyclopropyl]ethyl]benzene.
What is the SMILES notation for [(1R)-1-[2-methyl-2-(3-methylbut-1-en-2-yloxymethyl)cyclopropyl]ethyl]benzene?
The canonical SMILES for [(1R)-1-[2-methyl-2-(3-methylbut-1-en-2-yloxymethyl)cyclopropyl]ethyl]benzene is C=C(OCC1(C)CC1[C@@H](C)c1ccccc1)C(C)C.
What is the InChIKey of [(1R)-1-[2-methyl-2-(3-methylbut-1-en-2-yloxymethyl)cyclopropyl]ethyl]benzene?
The InChIKey is ZAMYWSYGURSWKM-NNGSBXSVSA-N. The full InChI is InChI=1S/C18H26O/c1-13(2)15(4)19-12-18(5)11-17(18)14(3)16-9-7-6-8-10-16/h6-10,13-14,17H,4,11-12H2,1-3,5H3/t14-,17?,18?/m0/s1.
What are the key properties of [(1R)-1-[2-methyl-2-(3-methylbut-1-en-2-yloxymethyl)cyclopropyl]ethyl]benzene?
[(1R)-1-[2-methyl-2-(3-methylbut-1-en-2-yloxymethyl)cyclopropyl]ethyl]benzene has a molecular weight of 258.40 g/mol, XLogP of 5.00, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[2-methyl-2-(3-methylbut-1-en-2-yloxymethyl)cyclopropyl]ethyl]benzene is sourced from PubChem (CID 126633442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).