8-chloro-7,8-dideuteriobicyclo[4.2.0]octan-7-ol

C8H13ClO — CID 11194509

IUPAC8-chloro-7,8-dideuteriobicyclo[4.2.0]octan-7-ol
SMILES[2H]C1(O)C2CCCCC2C1([2H])Cl
InChIInChI=1S/C8H13ClO/c9-7-5-3-1-2-4-6(5)8(7)10/h5-8,10H,1-4H2/i7D,8D
InChIKeyGVUYUFTUDOWKOM-QTQOOCSTSA-N
MW162.66 g/mol
LogP1.77
Rot. Bonds

About 8-chloro-7,8-dideuteriobicyclo[4.2.0]octan-7-ol

8-chloro-7,8-dideuteriobicyclo[4.2.0]octan-7-ol (PubChem CID 11194509) has the molecular formula C8H13ClO and a molecular weight of 162.66 g/mol. Its IUPAC name is 8-chloro-7,8-dideuteriobicyclo[4.2.0]octan-7-ol.

Molecular Properties

Compound Name8-chloro-7,8-dideuteriobicyclo[4.2.0]octan-7-ol
PubChem CID11194509
Molecular FormulaC8H13ClO
Molecular Weight162.66 g/mol
Exact Mass162.08
IUPAC Name8-chloro-7,8-dideuteriobicyclo[4.2.0]octan-7-ol
SMILES[2H]C1(O)C2CCCCC2C1([2H])Cl
InChIInChI=1S/C8H13ClO/c9-7-5-3-1-2-4-6(5)8(7)10/h5-8,10H,1-4H2/i7D,8D
InChIKeyGVUYUFTUDOWKOM-QTQOOCSTSA-N
XLogP1.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.66
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S,4S,4aS,8aS)-4-chloro-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol
CID 101163939
1,2,3,4-tetrachloro-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 57287780
(1R)-2-cyclohexylcyclohexan-1-ol
CID 130125210
(1R)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol
CID 54106302
1-chloro-2-cyclopentylcycloheptane
CID 63511633
2-cyclooctylcyclohexan-1-ol
CID 22359607
pentakis(cyclopentanol);hafnium
CID 142301948
cyclopentanol;hafnium
CID 150405183
2-piperidin-4-ylcyclohexan-1-ol
CID 84732573
(1S,2S,6R,7R)-tricyclo[5.4.0.02,6]undecane
CID 101375325
2,5-dicyclopentylcyclopentan-1-ol
CID 12867949
5-cyclohexyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
CID 59124996

Frequently Asked Questions

What is the IUPAC name of 8-chloro-7,8-dideuteriobicyclo[4.2.0]octan-7-ol?
The IUPAC name of 8-chloro-7,8-dideuteriobicyclo[4.2.0]octan-7-ol (CID 11194509) is 8-chloro-7,8-dideuteriobicyclo[4.2.0]octan-7-ol.
What is the SMILES notation for 8-chloro-7,8-dideuteriobicyclo[4.2.0]octan-7-ol?
The canonical SMILES for 8-chloro-7,8-dideuteriobicyclo[4.2.0]octan-7-ol is [2H]C1(O)C2CCCCC2C1([2H])Cl.
What is the InChIKey of 8-chloro-7,8-dideuteriobicyclo[4.2.0]octan-7-ol?
The InChIKey is GVUYUFTUDOWKOM-QTQOOCSTSA-N. The full InChI is InChI=1S/C8H13ClO/c9-7-5-3-1-2-4-6(5)8(7)10/h5-8,10H,1-4H2/i7D,8D.
What are the key properties of 8-chloro-7,8-dideuteriobicyclo[4.2.0]octan-7-ol?
8-chloro-7,8-dideuteriobicyclo[4.2.0]octan-7-ol has a molecular weight of 162.66 g/mol, XLogP of 1.77, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-7,8-dideuteriobicyclo[4.2.0]octan-7-ol is sourced from PubChem (CID 11194509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).