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

C13H26O — CID 166439972

IUPAC(2R)-2-[(E)-pent-1-enyl]octan-1-ol
SMILESCCC/C=C/[C@H](CO)CCCCCC
InChIInChI=1S/C13H26O/c1-3-5-7-9-11-13(12-14)10-8-6-4-2/h8,10,13-14H,3-7,9,11-12H2,1-2H3/b10-8+/t13-/m0/s1
InChIKeyGMIBSKPHDOVHTJ-FROQITRMSA-N
MW198.35 g/mol
LogP3.92
Rot. Bonds9

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

(2R)-2-[(E)-pent-1-enyl]octan-1-ol (PubChem CID 166439972) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is (2R)-2-[(E)-pent-1-enyl]octan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(E)-pent-1-enyl]octan-1-ol
PubChem CID166439972
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name(2R)-2-[(E)-pent-1-enyl]octan-1-ol
SMILESCCC/C=C/[C@H](CO)CCCCCC
InChIInChI=1S/C13H26O/c1-3-5-7-9-11-13(12-14)10-8-6-4-2/h8,10,13-14H,3-7,9,11-12H2,1-2H3/b10-8+/t13-/m0/s1
InChIKeyGMIBSKPHDOVHTJ-FROQITRMSA-N
XLogP3.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(E)-pent-1-enyl]octan-1-ol?
The IUPAC name of (2R)-2-[(E)-pent-1-enyl]octan-1-ol (CID 166439972) is (2R)-2-[(E)-pent-1-enyl]octan-1-ol.
What is the SMILES notation for (2R)-2-[(E)-pent-1-enyl]octan-1-ol?
The canonical SMILES for (2R)-2-[(E)-pent-1-enyl]octan-1-ol is CCC/C=C/[C@H](CO)CCCCCC.
What is the InChIKey of (2R)-2-[(E)-pent-1-enyl]octan-1-ol?
The InChIKey is GMIBSKPHDOVHTJ-FROQITRMSA-N. The full InChI is InChI=1S/C13H26O/c1-3-5-7-9-11-13(12-14)10-8-6-4-2/h8,10,13-14H,3-7,9,11-12H2,1-2H3/b10-8+/t13-/m0/s1.
What are the key properties of (2R)-2-[(E)-pent-1-enyl]octan-1-ol?
(2R)-2-[(E)-pent-1-enyl]octan-1-ol has a molecular weight of 198.35 g/mol, XLogP of 3.92, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(E)-pent-1-enyl]octan-1-ol is sourced from PubChem (CID 166439972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).