(1R,6R)-7-chlorobicyclo[4.1.0]heptane-7-carbaldehyde

C8H11ClO — CID 124662225

IUPAC(1R,6R)-7-chlorobicyclo[4.1.0]heptane-7-carbaldehyde
SMILESO=CC1(Cl)[C@@H]2CCCC[C@H]21
InChIInChI=1S/C8H11ClO/c9-8(5-10)6-3-1-2-4-7(6)8/h5-7H,1-4H2/t6-,7-/m1/s1
InChIKeyHNRNPQDPZIDTQC-RNFRBKRXSA-N
MW158.63 g/mol
LogP1.98
Rot. Bonds1

About (1R,6R)-7-chlorobicyclo[4.1.0]heptane-7-carbaldehyde

(1R,6R)-7-chlorobicyclo[4.1.0]heptane-7-carbaldehyde (PubChem CID 124662225) has the molecular formula C8H11ClO and a molecular weight of 158.63 g/mol. Its IUPAC name is (1R,6R)-7-chlorobicyclo[4.1.0]heptane-7-carbaldehyde.

Molecular Properties

Compound Name(1R,6R)-7-chlorobicyclo[4.1.0]heptane-7-carbaldehyde
PubChem CID124662225
Molecular FormulaC8H11ClO
Molecular Weight158.63 g/mol
Exact Mass158.05
IUPAC Name(1R,6R)-7-chlorobicyclo[4.1.0]heptane-7-carbaldehyde
SMILESO=CC1(Cl)[C@@H]2CCCC[C@H]21
InChIInChI=1S/C8H11ClO/c9-8(5-10)6-3-1-2-4-7(6)8/h5-7H,1-4H2/t6-,7-/m1/s1
InChIKeyHNRNPQDPZIDTQC-RNFRBKRXSA-N
XLogP1.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.63
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,6R)-7-chlorobicyclo[4.1.0]heptane-7-carbaldehyde?
The IUPAC name of (1R,6R)-7-chlorobicyclo[4.1.0]heptane-7-carbaldehyde (CID 124662225) is (1R,6R)-7-chlorobicyclo[4.1.0]heptane-7-carbaldehyde.
What is the SMILES notation for (1R,6R)-7-chlorobicyclo[4.1.0]heptane-7-carbaldehyde?
The canonical SMILES for (1R,6R)-7-chlorobicyclo[4.1.0]heptane-7-carbaldehyde is O=CC1(Cl)[C@@H]2CCCC[C@H]21.
What is the InChIKey of (1R,6R)-7-chlorobicyclo[4.1.0]heptane-7-carbaldehyde?
The InChIKey is HNRNPQDPZIDTQC-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H11ClO/c9-8(5-10)6-3-1-2-4-7(6)8/h5-7H,1-4H2/t6-,7-/m1/s1.
What are the key properties of (1R,6R)-7-chlorobicyclo[4.1.0]heptane-7-carbaldehyde?
(1R,6R)-7-chlorobicyclo[4.1.0]heptane-7-carbaldehyde has a molecular weight of 158.63 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R)-7-chlorobicyclo[4.1.0]heptane-7-carbaldehyde is sourced from PubChem (CID 124662225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).