(1R,2R,3S,4S,6S,7S)-1,4,7,8,9,10,10-heptachlorotricyclo[5.2.1.02,6]dec-8-en-3-ol

C10H7Cl7O — CID 56842305

IUPAC(1R,2R,3S,4S,6S,7S)-1,4,7,8,9,10,10-heptachlorotricyclo[5.2.1.02,6]dec-8-en-3-ol
SMILESO[C@H]1[C@H]2[C@H](C[C@@H]1Cl)[C@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl
InChIInChI=1S/C10H7Cl7O/c11-3-1-2-4(5(3)18)9(15)7(13)6(12)8(2,14)10(9,16)17/h2-5,18H,1H2/t2-,3-,4+,5+,8-,9+/m0/s1
InChIKeyHCDQHPLINXKFPH-DCBFRJIESA-N
MW391.34 g/mol
LogP4.44
Rot. Bonds

About (1R,2R,3S,4S,6S,7S)-1,4,7,8,9,10,10-heptachlorotricyclo[5.2.1.02,6]dec-8-en-3-ol

(1R,2R,3S,4S,6S,7S)-1,4,7,8,9,10,10-heptachlorotricyclo[5.2.1.02,6]dec-8-en-3-ol (PubChem CID 56842305) has the molecular formula C10H7Cl7O and a molecular weight of 391.34 g/mol. Its IUPAC name is (1R,2R,3S,4S,6S,7S)-1,4,7,8,9,10,10-heptachlorotricyclo[5.2.1.02,6]dec-8-en-3-ol.

Molecular Properties

Compound Name(1R,2R,3S,4S,6S,7S)-1,4,7,8,9,10,10-heptachlorotricyclo[5.2.1.02,6]dec-8-en-3-ol
PubChem CID56842305
Molecular FormulaC10H7Cl7O
Molecular Weight391.34 g/mol
Exact Mass387.83
IUPAC Name(1R,2R,3S,4S,6S,7S)-1,4,7,8,9,10,10-heptachlorotricyclo[5.2.1.02,6]dec-8-en-3-ol
SMILESO[C@H]1[C@H]2[C@H](C[C@@H]1Cl)[C@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl
InChIInChI=1S/C10H7Cl7O/c11-3-1-2-4(5(3)18)9(15)7(13)6(12)8(2,14)10(9,16)17/h2-5,18H,1H2/t2-,3-,4+,5+,8-,9+/m0/s1
InChIKeyHCDQHPLINXKFPH-DCBFRJIESA-N
XLogP4.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.34
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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,2R,3S,4S,6S,7S)-1,4,7,8,9,10,10-heptachlorotricyclo[5.2.1.02,6]dec-8-en-3-ol?
The IUPAC name of (1R,2R,3S,4S,6S,7S)-1,4,7,8,9,10,10-heptachlorotricyclo[5.2.1.02,6]dec-8-en-3-ol (CID 56842305) is (1R,2R,3S,4S,6S,7S)-1,4,7,8,9,10,10-heptachlorotricyclo[5.2.1.02,6]dec-8-en-3-ol.
What is the SMILES notation for (1R,2R,3S,4S,6S,7S)-1,4,7,8,9,10,10-heptachlorotricyclo[5.2.1.02,6]dec-8-en-3-ol?
The canonical SMILES for (1R,2R,3S,4S,6S,7S)-1,4,7,8,9,10,10-heptachlorotricyclo[5.2.1.02,6]dec-8-en-3-ol is O[C@H]1[C@H]2[C@H](C[C@@H]1Cl)[C@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl.
What is the InChIKey of (1R,2R,3S,4S,6S,7S)-1,4,7,8,9,10,10-heptachlorotricyclo[5.2.1.02,6]dec-8-en-3-ol?
The InChIKey is HCDQHPLINXKFPH-DCBFRJIESA-N. The full InChI is InChI=1S/C10H7Cl7O/c11-3-1-2-4(5(3)18)9(15)7(13)6(12)8(2,14)10(9,16)17/h2-5,18H,1H2/t2-,3-,4+,5+,8-,9+/m0/s1.
What are the key properties of (1R,2R,3S,4S,6S,7S)-1,4,7,8,9,10,10-heptachlorotricyclo[5.2.1.02,6]dec-8-en-3-ol?
(1R,2R,3S,4S,6S,7S)-1,4,7,8,9,10,10-heptachlorotricyclo[5.2.1.02,6]dec-8-en-3-ol has a molecular weight of 391.34 g/mol, XLogP of 4.44, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S,4S,6S,7S)-1,4,7,8,9,10,10-heptachlorotricyclo[5.2.1.02,6]dec-8-en-3-ol is sourced from PubChem (CID 56842305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).