[(2E)-2-(1-deuterio-2-methylbutylidene)cyclopropyl]methylbenzene

C15H20 — CID 10442815

IUPAC[(2E)-2-(1-deuterio-2-methylbutylidene)cyclopropyl]methylbenzene
SMILES[2H]/C(=C1/CC1Cc1ccccc1)C(C)CC
InChIInChI=1S/C15H20/c1-3-12(2)9-14-11-15(14)10-13-7-5-4-6-8-13/h4-9,12,15H,3,10-11H2,1-2H3/b14-9+/i9D
InChIKeyMZHKJFBZPHILMN-NRKIMVRTSA-N
MW201.33 g/mol
LogP4.22
Rot. Bonds4

About [(2E)-2-(1-deuterio-2-methylbutylidene)cyclopropyl]methylbenzene

[(2E)-2-(1-deuterio-2-methylbutylidene)cyclopropyl]methylbenzene (PubChem CID 10442815) has the molecular formula C15H20 and a molecular weight of 201.33 g/mol. Its IUPAC name is [(2E)-2-(1-deuterio-2-methylbutylidene)cyclopropyl]methylbenzene.

Molecular Properties

Compound Name[(2E)-2-(1-deuterio-2-methylbutylidene)cyclopropyl]methylbenzene
PubChem CID10442815
Molecular FormulaC15H20
Molecular Weight201.33 g/mol
Exact Mass201.16
IUPAC Name[(2E)-2-(1-deuterio-2-methylbutylidene)cyclopropyl]methylbenzene
SMILES[2H]/C(=C1/CC1Cc1ccccc1)C(C)CC
InChIInChI=1S/C15H20/c1-3-12(2)9-14-11-15(14)10-13-7-5-4-6-8-13/h4-9,12,15H,3,10-11H2,1-2H3/b14-9+/i9D
InChIKeyMZHKJFBZPHILMN-NRKIMVRTSA-N
XLogP4.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 [(2E)-2-(1-deuterio-2-methylbutylidene)cyclopropyl]methylbenzene?
The IUPAC name of [(2E)-2-(1-deuterio-2-methylbutylidene)cyclopropyl]methylbenzene (CID 10442815) is [(2E)-2-(1-deuterio-2-methylbutylidene)cyclopropyl]methylbenzene.
What is the SMILES notation for [(2E)-2-(1-deuterio-2-methylbutylidene)cyclopropyl]methylbenzene?
The canonical SMILES for [(2E)-2-(1-deuterio-2-methylbutylidene)cyclopropyl]methylbenzene is [2H]/C(=C1/CC1Cc1ccccc1)C(C)CC.
What is the InChIKey of [(2E)-2-(1-deuterio-2-methylbutylidene)cyclopropyl]methylbenzene?
The InChIKey is MZHKJFBZPHILMN-NRKIMVRTSA-N. The full InChI is InChI=1S/C15H20/c1-3-12(2)9-14-11-15(14)10-13-7-5-4-6-8-13/h4-9,12,15H,3,10-11H2,1-2H3/b14-9+/i9D.
What are the key properties of [(2E)-2-(1-deuterio-2-methylbutylidene)cyclopropyl]methylbenzene?
[(2E)-2-(1-deuterio-2-methylbutylidene)cyclopropyl]methylbenzene has a molecular weight of 201.33 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-2-(1-deuterio-2-methylbutylidene)cyclopropyl]methylbenzene is sourced from PubChem (CID 10442815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).