(E,4S,5R)-4,5-dichlorohex-2-en-1-ol

C6H10Cl2O — CID 25187324

IUPAC(E,4S,5R)-4,5-dichlorohex-2-en-1-ol
SMILESC[C@@H](Cl)[C@@H](Cl)/C=C/CO
InChIInChI=1S/C6H10Cl2O/c1-5(7)6(8)3-2-4-9/h2-3,5-6,9H,4H2,1H3/b3-2+/t5-,6+/m1/s1
InChIKeyGLRPQACQBUATFM-QQTLEDFYSA-N
MW169.05 g/mol
LogP1.77
Rot. Bonds3

About (E,4S,5R)-4,5-dichlorohex-2-en-1-ol

(E,4S,5R)-4,5-dichlorohex-2-en-1-ol (PubChem CID 25187324) has the molecular formula C6H10Cl2O and a molecular weight of 169.05 g/mol. Its IUPAC name is (E,4S,5R)-4,5-dichlorohex-2-en-1-ol.

Molecular Properties

Compound Name(E,4S,5R)-4,5-dichlorohex-2-en-1-ol
PubChem CID25187324
Molecular FormulaC6H10Cl2O
Molecular Weight169.05 g/mol
Exact Mass168.01
IUPAC Name(E,4S,5R)-4,5-dichlorohex-2-en-1-ol
SMILESC[C@@H](Cl)[C@@H](Cl)/C=C/CO
InChIInChI=1S/C6H10Cl2O/c1-5(7)6(8)3-2-4-9/h2-3,5-6,9H,4H2,1H3/b3-2+/t5-,6+/m1/s1
InChIKeyGLRPQACQBUATFM-QQTLEDFYSA-N
XLogP1.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.05
LogP ≤ 51.77
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

(E)-4-methylpent-2-en-1-ol
CID 5362786
4-methylpent-2-ene-1,5-diol
CID 78100137
(E)-4-methylhex-2-en-1-ol
CID 12036147
5-methylhex-2-en-1-ol
CID 12538351
(E)-7-hydroxy-3-methylhept-5-en-2-one
CID 131243223
(E)-5-methoxy-4,7-dimethyloct-2-en-1-ol
CID 87273368
(E,4S)-4-(methoxymethoxy)pent-2-en-1-ol
CID 11205834
CID 152778774
CID 152778774
(Z)-4-cyclohexylpent-2-en-1-ol
CID 10773441
(Z)-4-phenylpent-2-en-1-ol
CID 10725679
icosakis(2,2-dichloroethanol);methanol
CID 173499766
(2Z,4E)-4-propan-2-ylhexa-2,4-diene-1,5-diol
CID 59007348

Frequently Asked Questions

What is the IUPAC name of (E,4S,5R)-4,5-dichlorohex-2-en-1-ol?
The IUPAC name of (E,4S,5R)-4,5-dichlorohex-2-en-1-ol (CID 25187324) is (E,4S,5R)-4,5-dichlorohex-2-en-1-ol.
What is the SMILES notation for (E,4S,5R)-4,5-dichlorohex-2-en-1-ol?
The canonical SMILES for (E,4S,5R)-4,5-dichlorohex-2-en-1-ol is C[C@@H](Cl)[C@@H](Cl)/C=C/CO.
What is the InChIKey of (E,4S,5R)-4,5-dichlorohex-2-en-1-ol?
The InChIKey is GLRPQACQBUATFM-QQTLEDFYSA-N. The full InChI is InChI=1S/C6H10Cl2O/c1-5(7)6(8)3-2-4-9/h2-3,5-6,9H,4H2,1H3/b3-2+/t5-,6+/m1/s1.
What are the key properties of (E,4S,5R)-4,5-dichlorohex-2-en-1-ol?
(E,4S,5R)-4,5-dichlorohex-2-en-1-ol has a molecular weight of 169.05 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4S,5R)-4,5-dichlorohex-2-en-1-ol is sourced from PubChem (CID 25187324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).