(E)-undec-2-en-4-ol

C11H22O — CID 5366258

IUPAC(E)-undec-2-en-4-ol
SMILESC/C=C/C(O)CCCCCCC
InChIInChI=1S/C11H22O/c1-3-5-6-7-8-10-11(12)9-4-2/h4,9,11-12H,3,5-8,10H2,1-2H3/b9-4+
InChIKeyCTPCMVYYXSEEPM-RUDMXATFSA-N
MW170.30 g/mol
LogP3.28
Rot. Bonds7

About (E)-undec-2-en-4-ol

(E)-undec-2-en-4-ol (PubChem CID 5366258) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is (E)-undec-2-en-4-ol.

Molecular Properties

Compound Name(E)-undec-2-en-4-ol
PubChem CID5366258
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name(E)-undec-2-en-4-ol
SMILESC/C=C/C(O)CCCCCCC
InChIInChI=1S/C11H22O/c1-3-5-6-7-8-10-11(12)9-4-2/h4,9,11-12H,3,5-8,10H2,1-2H3/b9-4+
InChIKeyCTPCMVYYXSEEPM-RUDMXATFSA-N
XLogP3.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.28
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)-undec-2-en-4-ol?
The IUPAC name of (E)-undec-2-en-4-ol (CID 5366258) is (E)-undec-2-en-4-ol.
What is the SMILES notation for (E)-undec-2-en-4-ol?
The canonical SMILES for (E)-undec-2-en-4-ol is C/C=C/C(O)CCCCCCC.
What is the InChIKey of (E)-undec-2-en-4-ol?
The InChIKey is CTPCMVYYXSEEPM-RUDMXATFSA-N. The full InChI is InChI=1S/C11H22O/c1-3-5-6-7-8-10-11(12)9-4-2/h4,9,11-12H,3,5-8,10H2,1-2H3/b9-4+.
What are the key properties of (E)-undec-2-en-4-ol?
(E)-undec-2-en-4-ol has a molecular weight of 170.30 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-undec-2-en-4-ol is sourced from PubChem (CID 5366258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).