(2R)-1,1-dichloro-1-[(1R)-cyclohex-2-en-1-yl]propan-2-ol

C9H14Cl2O — CID 163741498

IUPAC(2R)-1,1-dichloro-1-[(1R)-cyclohex-2-en-1-yl]propan-2-ol
SMILESC[C@@H](O)C(Cl)(Cl)[C@H]1C=CCCC1
InChIInChI=1S/C9H14Cl2O/c1-7(12)9(10,11)8-5-3-2-4-6-8/h3,5,7-8,12H,2,4,6H2,1H3/t7-,8+/m1/s1
InChIKeyLIDXTZVQIWAZEL-SFYZADRCSA-N
MW209.12 g/mol
LogP2.90
Rot. Bonds2

About (2R)-1,1-dichloro-1-[(1R)-cyclohex-2-en-1-yl]propan-2-ol

(2R)-1,1-dichloro-1-[(1R)-cyclohex-2-en-1-yl]propan-2-ol (PubChem CID 163741498) has the molecular formula C9H14Cl2O and a molecular weight of 209.12 g/mol. Its IUPAC name is (2R)-1,1-dichloro-1-[(1R)-cyclohex-2-en-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1,1-dichloro-1-[(1R)-cyclohex-2-en-1-yl]propan-2-ol
PubChem CID163741498
Molecular FormulaC9H14Cl2O
Molecular Weight209.12 g/mol
Exact Mass208.04
IUPAC Name(2R)-1,1-dichloro-1-[(1R)-cyclohex-2-en-1-yl]propan-2-ol
SMILESC[C@@H](O)C(Cl)(Cl)[C@H]1C=CCCC1
InChIInChI=1S/C9H14Cl2O/c1-7(12)9(10,11)8-5-3-2-4-6-8/h3,5,7-8,12H,2,4,6H2,1H3/t7-,8+/m1/s1
InChIKeyLIDXTZVQIWAZEL-SFYZADRCSA-N
XLogP2.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.12
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-(3-chlorocyclohex-3-en-1-yl)-5-fluoro-2-methylheptan-1-ol
CID 164122382
1-Hydroxy-2-(trichloromethyl)cyclododecadi-ene-5,9
CID 129773489
(+/-)-8,8-Dichlorobicyclo[4.2.0]oct-3-en-7-ol
CID 155801693
1-(2-Cyclohexen-1-yl)-2,2,2-trichloroethanol
CID 12418397
1,1,1-Trichloro-4-(4-methylcyclohex-3-en-1-yl)pent-4-en-2-ol
CID 13238440
2,2,2-trichloro-1-[(2Z)-cyclooct-2-en-1-yl]ethanol
CID 13238505
(1R,6S,7S)-8,8-dichlorobicyclo[4.2.0]oct-2-en-7-ol
CID 14127271
(1S,6R,7R)-8,8-dichlorobicyclo[4.2.0]oct-2-en-7-ol
CID 14127272
2,2,2-trichloro-1-[(2E)-cyclododec-2-en-1-yl]ethanol
CID 20294057
1-(2-Cycloocten-1-yl)-2,2,2-trichloroethanol
CID 53739337
2,2,2-Trichloro-1-cyclododec-2-en-1-ylethanol
CID 53787949
1-Chloro-4-chlorophenyl-2-butanol
CID 68824656

Frequently Asked Questions

What is the IUPAC name of (2R)-1,1-dichloro-1-[(1R)-cyclohex-2-en-1-yl]propan-2-ol?
The IUPAC name of (2R)-1,1-dichloro-1-[(1R)-cyclohex-2-en-1-yl]propan-2-ol (CID 163741498) is (2R)-1,1-dichloro-1-[(1R)-cyclohex-2-en-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1,1-dichloro-1-[(1R)-cyclohex-2-en-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1,1-dichloro-1-[(1R)-cyclohex-2-en-1-yl]propan-2-ol is C[C@@H](O)C(Cl)(Cl)[C@H]1C=CCCC1.
What is the InChIKey of (2R)-1,1-dichloro-1-[(1R)-cyclohex-2-en-1-yl]propan-2-ol?
The InChIKey is LIDXTZVQIWAZEL-SFYZADRCSA-N. The full InChI is InChI=1S/C9H14Cl2O/c1-7(12)9(10,11)8-5-3-2-4-6-8/h3,5,7-8,12H,2,4,6H2,1H3/t7-,8+/m1/s1.
What are the key properties of (2R)-1,1-dichloro-1-[(1R)-cyclohex-2-en-1-yl]propan-2-ol?
(2R)-1,1-dichloro-1-[(1R)-cyclohex-2-en-1-yl]propan-2-ol has a molecular weight of 209.12 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,1-dichloro-1-[(1R)-cyclohex-2-en-1-yl]propan-2-ol is sourced from PubChem (CID 163741498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).