(6-methyl-1-bicyclo[4.1.0]heptanyl) 2-chloroacetate

C10H15ClO2 — CID 10442856

IUPAC(6-methyl-1-bicyclo[4.1.0]heptanyl) 2-chloroacetate
SMILESCC12CCCCC1(OC(=O)CCl)C2
InChIInChI=1S/C10H15ClO2/c1-9-4-2-3-5-10(9,7-9)13-8(12)6-11/h2-7H2,1H3
InChIKeyKZIIEJPUFNFSET-UHFFFAOYSA-N
MW202.68 g/mol
LogP2.49
Rot. Bonds2

About (6-methyl-1-bicyclo[4.1.0]heptanyl) 2-chloroacetate

(6-methyl-1-bicyclo[4.1.0]heptanyl) 2-chloroacetate (PubChem CID 10442856) has the molecular formula C10H15ClO2 and a molecular weight of 202.68 g/mol. Its IUPAC name is (6-methyl-1-bicyclo[4.1.0]heptanyl) 2-chloroacetate.

Molecular Properties

Compound Name(6-methyl-1-bicyclo[4.1.0]heptanyl) 2-chloroacetate
PubChem CID10442856
Molecular FormulaC10H15ClO2
Molecular Weight202.68 g/mol
Exact Mass202.08
IUPAC Name(6-methyl-1-bicyclo[4.1.0]heptanyl) 2-chloroacetate
SMILESCC12CCCCC1(OC(=O)CCl)C2
InChIInChI=1S/C10H15ClO2/c1-9-4-2-3-5-10(9,7-9)13-8(12)6-11/h2-7H2,1H3
InChIKeyKZIIEJPUFNFSET-UHFFFAOYSA-N
XLogP2.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.68
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1S,6S)-6-methyl-1-bicyclo[4.1.0]heptanyl] acetate
CID 10442084
[(1R,5S)-5-but-3-enyl-1-bicyclo[3.1.0]hexanyl] 2-chloroacetate
CID 102124048
trimethyl-[(6-methyl-1-bicyclo[4.1.0]heptanyl)oxy]silane
CID 13183995
(2-methyl-2-adamantyl) 2-chloroacetate
CID 10332006
3-(1-methylcyclopentyl)oxy-3-oxopropanoic acid
CID 170442705
(2-methyl-1,4-dithian-2-yl) 2-chloroacetate
CID 59637981
(3-methyl-1,4-oxathiepan-3-yl) 2-chloroacetate
CID 59637912
6-methylbicyclo[4.1.0]heptane-1-carboxylic acid
CID 134896237
2-chloroacetyl chloride;ethane
CID 144520290
(2,6-dimethyl-1,4-dioxan-2-yl) 2-chloroacetate
CID 59638104
1-O-methyl 4-O-(1-methylcyclopentyl) butanedioate
CID 177097528
(1-methylcyclohexyl) N-[2-[(1-methylcyclohexyl)oxycarbonylamino]ethyl]carbamate
CID 59584170

Frequently Asked Questions

What is the IUPAC name of (6-methyl-1-bicyclo[4.1.0]heptanyl) 2-chloroacetate?
The IUPAC name of (6-methyl-1-bicyclo[4.1.0]heptanyl) 2-chloroacetate (CID 10442856) is (6-methyl-1-bicyclo[4.1.0]heptanyl) 2-chloroacetate.
What is the SMILES notation for (6-methyl-1-bicyclo[4.1.0]heptanyl) 2-chloroacetate?
The canonical SMILES for (6-methyl-1-bicyclo[4.1.0]heptanyl) 2-chloroacetate is CC12CCCCC1(OC(=O)CCl)C2.
What is the InChIKey of (6-methyl-1-bicyclo[4.1.0]heptanyl) 2-chloroacetate?
The InChIKey is KZIIEJPUFNFSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClO2/c1-9-4-2-3-5-10(9,7-9)13-8(12)6-11/h2-7H2,1H3.
What are the key properties of (6-methyl-1-bicyclo[4.1.0]heptanyl) 2-chloroacetate?
(6-methyl-1-bicyclo[4.1.0]heptanyl) 2-chloroacetate has a molecular weight of 202.68 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-1-bicyclo[4.1.0]heptanyl) 2-chloroacetate is sourced from PubChem (CID 10442856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).