(2R)-2-[(E)-5-chloropent-1-enyl]octan-1-ol

C13H25ClO — CID 166443411

IUPAC(2R)-2-[(E)-5-chloropent-1-enyl]octan-1-ol
SMILESCCCCCC[C@H](/C=C/CCCCl)CO
InChIInChI=1S/C13H25ClO/c1-2-3-4-6-9-13(12-15)10-7-5-8-11-14/h7,10,13,15H,2-6,8-9,11-12H2,1H3/b10-7+/t13-/m1/s1
InChIKeyBZWXCMCFZZPTGU-UTSBKAFOSA-N
MW232.79 g/mol
LogP4.14
Rot. Bonds10

About (2R)-2-[(E)-5-chloropent-1-enyl]octan-1-ol

(2R)-2-[(E)-5-chloropent-1-enyl]octan-1-ol (PubChem CID 166443411) has the molecular formula C13H25ClO and a molecular weight of 232.79 g/mol. Its IUPAC name is (2R)-2-[(E)-5-chloropent-1-enyl]octan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(E)-5-chloropent-1-enyl]octan-1-ol
PubChem CID166443411
Molecular FormulaC13H25ClO
Molecular Weight232.79 g/mol
Exact Mass232.16
IUPAC Name(2R)-2-[(E)-5-chloropent-1-enyl]octan-1-ol
SMILESCCCCCC[C@H](/C=C/CCCCl)CO
InChIInChI=1S/C13H25ClO/c1-2-3-4-6-9-13(12-15)10-7-5-8-11-14/h7,10,13,15H,2-6,8-9,11-12H2,1H3/b10-7+/t13-/m1/s1
InChIKeyBZWXCMCFZZPTGU-UTSBKAFOSA-N
XLogP4.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.79
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Chloro-5-(cyclohexen-1-yl)-3-fluorohexan-2-ol
CID 153333915
((1S,2S,3R)-2-butyl-3-((E)-5-chloropent-1-en-1-yl)-2-methylcyclopropyl)methanol
CID 134686941
(4R,6S)-2-(chloromethyl)-6,10-dimethylundeca-1,9-dien-4-ol
CID 138977954
8-Chloro-3-methyloct-1-en-4-ol
CID 154722023
(2R)-2-[(E)-pent-1-enyl]octan-1-ol
CID 166439972
6-Chloro-3,7-dimethyloct-7-EN-1-OL
CID 14158831
1-Chlorooctadeca-9,12-dien-1-ol
CID 53684900
1-Chlorooctadec-9-en-1-ol
CID 53895995
3-(1-Chloroprop-2-enyl)heptan-1-ol
CID 54501797
6-Chloro-5-ethylundec-1-en-4-ol
CID 88239087
6-Chloro-5-methylundec-1-en-4-ol
CID 88337032
2-[(E)-but-1-enyl]octan-1-ol
CID 88434024

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(E)-5-chloropent-1-enyl]octan-1-ol?
The IUPAC name of (2R)-2-[(E)-5-chloropent-1-enyl]octan-1-ol (CID 166443411) is (2R)-2-[(E)-5-chloropent-1-enyl]octan-1-ol.
What is the SMILES notation for (2R)-2-[(E)-5-chloropent-1-enyl]octan-1-ol?
The canonical SMILES for (2R)-2-[(E)-5-chloropent-1-enyl]octan-1-ol is CCCCCC[C@H](/C=C/CCCCl)CO.
What is the InChIKey of (2R)-2-[(E)-5-chloropent-1-enyl]octan-1-ol?
The InChIKey is BZWXCMCFZZPTGU-UTSBKAFOSA-N. The full InChI is InChI=1S/C13H25ClO/c1-2-3-4-6-9-13(12-15)10-7-5-8-11-14/h7,10,13,15H,2-6,8-9,11-12H2,1H3/b10-7+/t13-/m1/s1.
What are the key properties of (2R)-2-[(E)-5-chloropent-1-enyl]octan-1-ol?
(2R)-2-[(E)-5-chloropent-1-enyl]octan-1-ol has a molecular weight of 232.79 g/mol, XLogP of 4.14, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(E)-5-chloropent-1-enyl]octan-1-ol is sourced from PubChem (CID 166443411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).