(1R,3R,5S,7S)-8,8-dichloro-1,4,4,7-tetramethyltricyclo[5.1.0.03,5]octane

C12H18Cl2 — CID 23273214

IUPAC(1R,3R,5S,7S)-8,8-dichloro-1,4,4,7-tetramethyltricyclo[5.1.0.03,5]octane
SMILESCC1(C)[C@@H]2C[C@@]3(C)C(Cl)(Cl)[C@@]3(C)C[C@@H]21
InChIInChI=1S/C12H18Cl2/c1-9(2)7-5-10(3)11(4,6-8(7)9)12(10,13)14/h7-8H,5-6H2,1-4H3/t7-,8+,10-,11+
InChIKeyQVRPXYYZIUSWFV-CBZSFBHOSA-N
MW233.18 g/mol
LogP4.25
Rot. Bonds

About (1R,3R,5S,7S)-8,8-dichloro-1,4,4,7-tetramethyltricyclo[5.1.0.03,5]octane

(1R,3R,5S,7S)-8,8-dichloro-1,4,4,7-tetramethyltricyclo[5.1.0.03,5]octane (PubChem CID 23273214) has the molecular formula C12H18Cl2 and a molecular weight of 233.18 g/mol. Its IUPAC name is (1R,3R,5S,7S)-8,8-dichloro-1,4,4,7-tetramethyltricyclo[5.1.0.03,5]octane.

Molecular Properties

Compound Name(1R,3R,5S,7S)-8,8-dichloro-1,4,4,7-tetramethyltricyclo[5.1.0.03,5]octane
PubChem CID23273214
Molecular FormulaC12H18Cl2
Molecular Weight233.18 g/mol
Exact Mass232.08
IUPAC Name(1R,3R,5S,7S)-8,8-dichloro-1,4,4,7-tetramethyltricyclo[5.1.0.03,5]octane
SMILESCC1(C)[C@@H]2C[C@@]3(C)C(Cl)(Cl)[C@@]3(C)C[C@@H]21
InChIInChI=1S/C12H18Cl2/c1-9(2)7-5-10(3)11(4,6-8(7)9)12(10,13)14/h7-8H,5-6H2,1-4H3/t7-,8+,10-,11+
InChIKeyQVRPXYYZIUSWFV-CBZSFBHOSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.18
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,3R,5S,7S)-8,8-dichloro-1,4,4,7-tetramethyltricyclo[5.1.0.03,5]octane?
The IUPAC name of (1R,3R,5S,7S)-8,8-dichloro-1,4,4,7-tetramethyltricyclo[5.1.0.03,5]octane (CID 23273214) is (1R,3R,5S,7S)-8,8-dichloro-1,4,4,7-tetramethyltricyclo[5.1.0.03,5]octane.
What is the SMILES notation for (1R,3R,5S,7S)-8,8-dichloro-1,4,4,7-tetramethyltricyclo[5.1.0.03,5]octane?
The canonical SMILES for (1R,3R,5S,7S)-8,8-dichloro-1,4,4,7-tetramethyltricyclo[5.1.0.03,5]octane is CC1(C)[C@@H]2C[C@@]3(C)C(Cl)(Cl)[C@@]3(C)C[C@@H]21.
What is the InChIKey of (1R,3R,5S,7S)-8,8-dichloro-1,4,4,7-tetramethyltricyclo[5.1.0.03,5]octane?
The InChIKey is QVRPXYYZIUSWFV-CBZSFBHOSA-N. The full InChI is InChI=1S/C12H18Cl2/c1-9(2)7-5-10(3)11(4,6-8(7)9)12(10,13)14/h7-8H,5-6H2,1-4H3/t7-,8+,10-,11+.
What are the key properties of (1R,3R,5S,7S)-8,8-dichloro-1,4,4,7-tetramethyltricyclo[5.1.0.03,5]octane?
(1R,3R,5S,7S)-8,8-dichloro-1,4,4,7-tetramethyltricyclo[5.1.0.03,5]octane has a molecular weight of 233.18 g/mol, XLogP of 4.25, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,5S,7S)-8,8-dichloro-1,4,4,7-tetramethyltricyclo[5.1.0.03,5]octane is sourced from PubChem (CID 23273214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).