1,1-dimethyl-2-(2-methylprop-1-enyl)cyclopropane;formyl chloride

C10H17ClO — CID 159817831

IUPAC1,1-dimethyl-2-(2-methylprop-1-enyl)cyclopropane;formyl chloride
SMILESCC(C)=CC1CC1(C)C.O=CCl
InChIInChI=1S/C9H16.CHClO/c1-7(2)5-8-6-9(8,3)4;2-1-3/h5,8H,6H2,1-4H3;1H
InChIKeyNLVPQQAQFQKYFY-UHFFFAOYSA-N
MW188.70 g/mol
LogP3.41
Rot. Bonds1

About 1,1-dimethyl-2-(2-methylprop-1-enyl)cyclopropane;formyl chloride

1,1-dimethyl-2-(2-methylprop-1-enyl)cyclopropane;formyl chloride (PubChem CID 159817831) has the molecular formula C10H17ClO and a molecular weight of 188.70 g/mol. Its IUPAC name is 1,1-dimethyl-2-(2-methylprop-1-enyl)cyclopropane;formyl chloride.

Molecular Properties

Compound Name1,1-dimethyl-2-(2-methylprop-1-enyl)cyclopropane;formyl chloride
PubChem CID159817831
Molecular FormulaC10H17ClO
Molecular Weight188.70 g/mol
Exact Mass188.10
IUPAC Name1,1-dimethyl-2-(2-methylprop-1-enyl)cyclopropane;formyl chloride
SMILESCC(C)=CC1CC1(C)C.O=CCl
InChIInChI=1S/C9H16.CHClO/c1-7(2)5-8-6-9(8,3)4;2-1-3/h5,8H,6H2,1-4H3;1H
InChIKeyNLVPQQAQFQKYFY-UHFFFAOYSA-N
XLogP3.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.70
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-2-(2-methylprop-1-enyl)cyclopropane;formyl chloride?
The IUPAC name of 1,1-dimethyl-2-(2-methylprop-1-enyl)cyclopropane;formyl chloride (CID 159817831) is 1,1-dimethyl-2-(2-methylprop-1-enyl)cyclopropane;formyl chloride.
What is the SMILES notation for 1,1-dimethyl-2-(2-methylprop-1-enyl)cyclopropane;formyl chloride?
The canonical SMILES for 1,1-dimethyl-2-(2-methylprop-1-enyl)cyclopropane;formyl chloride is CC(C)=CC1CC1(C)C.O=CCl.
What is the InChIKey of 1,1-dimethyl-2-(2-methylprop-1-enyl)cyclopropane;formyl chloride?
The InChIKey is NLVPQQAQFQKYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16.CHClO/c1-7(2)5-8-6-9(8,3)4;2-1-3/h5,8H,6H2,1-4H3;1H.
What are the key properties of 1,1-dimethyl-2-(2-methylprop-1-enyl)cyclopropane;formyl chloride?
1,1-dimethyl-2-(2-methylprop-1-enyl)cyclopropane;formyl chloride has a molecular weight of 188.70 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-2-(2-methylprop-1-enyl)cyclopropane;formyl chloride is sourced from PubChem (CID 159817831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).