2,2,3,3-tetramethylcyclopropane-1-carbonyl chloride

C8H13ClO — CID 11041002

IUPAC2,2,3,3-tetramethylcyclopropane-1-carbonyl chloride
SMILESCC1(C)C(C(=O)Cl)C1(C)C
InChIInChI=1S/C8H13ClO/c1-7(2)5(6(9)10)8(7,3)4/h5H,1-4H3
InChIKeyPAPVPNRFJQMQLS-UHFFFAOYSA-N
MW160.64 g/mol
LogP2.43
Rot. Bonds1

About 2,2,3,3-tetramethylcyclopropane-1-carbonyl chloride

2,2,3,3-tetramethylcyclopropane-1-carbonyl chloride (PubChem CID 11041002) has the molecular formula C8H13ClO and a molecular weight of 160.64 g/mol. Its IUPAC name is 2,2,3,3-tetramethylcyclopropane-1-carbonyl chloride.

Molecular Properties

Compound Name2,2,3,3-tetramethylcyclopropane-1-carbonyl chloride
PubChem CID11041002
Molecular FormulaC8H13ClO
Molecular Weight160.64 g/mol
Exact Mass160.07
IUPAC Name2,2,3,3-tetramethylcyclopropane-1-carbonyl chloride
SMILESCC1(C)C(C(=O)Cl)C1(C)C
InChIInChI=1S/C8H13ClO/c1-7(2)5(6(9)10)8(7,3)4/h5H,1-4H3
InChIKeyPAPVPNRFJQMQLS-UHFFFAOYSA-N
XLogP2.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.64
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-tert-Butyl-3,3-dimethylbutanoyl chloride
CID 12547650
2,2-Dimethylcyclopropanecarbonyl chloride
CID 11007951
Dimethylcyclopropanecarbonyl chlo-ride
CID 22667759
1-Ethylcyclopropanecarboxylic acid chloride
CID 54183701
1-Propylcyclopropane-1-carbonyl chloride
CID 54379663
1-Butylcyclopropanecarboxylic acid chloride
CID 54546667
Dimethylcyclopropanecarbonyl chloride
CID 129801542
1-Propan-2-ylcyclopropane-1-carbonyl chloride
CID 139221862
2,3-Dimethyl-2-isopropylbutyryl chloride
CID 3016607
2,3-Dimethyl-2,3-bis(trifluoromethyl)cyclopropane-1-carbonyl chloride
CID 13044733
2,3,3-Trimethyl-2-propan-2-ylbutanoyl chloride
CID 15564188
1-Fluoro-2,2,3,3-tetramethylcyclopropane-1-carbonyl chloride
CID 42626041

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetramethylcyclopropane-1-carbonyl chloride?
The IUPAC name of 2,2,3,3-tetramethylcyclopropane-1-carbonyl chloride (CID 11041002) is 2,2,3,3-tetramethylcyclopropane-1-carbonyl chloride.
What is the SMILES notation for 2,2,3,3-tetramethylcyclopropane-1-carbonyl chloride?
The canonical SMILES for 2,2,3,3-tetramethylcyclopropane-1-carbonyl chloride is CC1(C)C(C(=O)Cl)C1(C)C.
What is the InChIKey of 2,2,3,3-tetramethylcyclopropane-1-carbonyl chloride?
The InChIKey is PAPVPNRFJQMQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClO/c1-7(2)5(6(9)10)8(7,3)4/h5H,1-4H3.
What are the key properties of 2,2,3,3-tetramethylcyclopropane-1-carbonyl chloride?
2,2,3,3-tetramethylcyclopropane-1-carbonyl chloride has a molecular weight of 160.64 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetramethylcyclopropane-1-carbonyl chloride is sourced from PubChem (CID 11041002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).