(E)-undec-6-en-3-ol

C11H22O — CID 12734626

IUPAC(E)-undec-6-en-3-ol
SMILESCCCC/C=C/CCC(O)CC
InChIInChI=1S/C11H22O/c1-3-5-6-7-8-9-10-11(12)4-2/h7-8,11-12H,3-6,9-10H2,1-2H3/b8-7+
InChIKeyMXRIMDGIWUYWAK-BQYQJAHWSA-N
MW170.30 g/mol
LogP3.28
Rot. Bonds7

About (E)-undec-6-en-3-ol

(E)-undec-6-en-3-ol (PubChem CID 12734626) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is (E)-undec-6-en-3-ol.

Molecular Properties

Compound Name(E)-undec-6-en-3-ol
PubChem CID12734626
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name(E)-undec-6-en-3-ol
SMILESCCCC/C=C/CCC(O)CC
InChIInChI=1S/C11H22O/c1-3-5-6-7-8-9-10-11(12)4-2/h7-8,11-12H,3-6,9-10H2,1-2H3/b8-7+
InChIKeyMXRIMDGIWUYWAK-BQYQJAHWSA-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-6-en-3-ol?
The IUPAC name of (E)-undec-6-en-3-ol (CID 12734626) is (E)-undec-6-en-3-ol.
What is the SMILES notation for (E)-undec-6-en-3-ol?
The canonical SMILES for (E)-undec-6-en-3-ol is CCCC/C=C/CCC(O)CC.
What is the InChIKey of (E)-undec-6-en-3-ol?
The InChIKey is MXRIMDGIWUYWAK-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H22O/c1-3-5-6-7-8-9-10-11(12)4-2/h7-8,11-12H,3-6,9-10H2,1-2H3/b8-7+.
What are the key properties of (E)-undec-6-en-3-ol?
(E)-undec-6-en-3-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-6-en-3-ol is sourced from PubChem (CID 12734626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).