(E,2R)-oct-3-en-2-ol

C8H16O — CID 6995681

IUPAC(E,2R)-oct-3-en-2-ol
SMILESCCCC/C=C/[C@@H](C)O
InChIInChI=1S/C8H16O/c1-3-4-5-6-7-8(2)9/h6-9H,3-5H2,1-2H3/b7-6+/t8-/m1/s1
InChIKeyYJJIVDCKSZMHGZ-HYDMIIDASA-N
MW128.21 g/mol
LogP2.11
Rot. Bonds4

About (E,2R)-oct-3-en-2-ol

(E,2R)-oct-3-en-2-ol (PubChem CID 6995681) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is (E,2R)-oct-3-en-2-ol.

Molecular Properties

Compound Name(E,2R)-oct-3-en-2-ol
PubChem CID6995681
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name(E,2R)-oct-3-en-2-ol
SMILESCCCC/C=C/[C@@H](C)O
InChIInChI=1S/C8H16O/c1-3-4-5-6-7-8(2)9/h6-9H,3-5H2,1-2H3/b7-6+/t8-/m1/s1
InChIKeyYJJIVDCKSZMHGZ-HYDMIIDASA-N
XLogP2.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 52.11
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 (E,2R)-oct-3-en-2-ol?
The IUPAC name of (E,2R)-oct-3-en-2-ol (CID 6995681) is (E,2R)-oct-3-en-2-ol.
What is the SMILES notation for (E,2R)-oct-3-en-2-ol?
The canonical SMILES for (E,2R)-oct-3-en-2-ol is CCCC/C=C/[C@@H](C)O.
What is the InChIKey of (E,2R)-oct-3-en-2-ol?
The InChIKey is YJJIVDCKSZMHGZ-HYDMIIDASA-N. The full InChI is InChI=1S/C8H16O/c1-3-4-5-6-7-8(2)9/h6-9H,3-5H2,1-2H3/b7-6+/t8-/m1/s1.
What are the key properties of (E,2R)-oct-3-en-2-ol?
(E,2R)-oct-3-en-2-ol has a molecular weight of 128.21 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-oct-3-en-2-ol is sourced from PubChem (CID 6995681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).