undec-5-en-4-ol

C11H22O — CID 73071371

IUPACundec-5-en-4-ol
SMILESCCCCCC=CC(O)CCC
InChIInChI=1S/C11H22O/c1-3-5-6-7-8-10-11(12)9-4-2/h8,10-12H,3-7,9H2,1-2H3
InChIKeyNMBRVMYPXOEDSH-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.28
Rot. Bonds7

About undec-5-en-4-ol

undec-5-en-4-ol (PubChem CID 73071371) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is undec-5-en-4-ol.

Molecular Properties

Compound Nameundec-5-en-4-ol
PubChem CID73071371
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Nameundec-5-en-4-ol
SMILESCCCCCC=CC(O)CCC
InChIInChI=1S/C11H22O/c1-3-5-6-7-8-10-11(12)9-4-2/h8,10-12H,3-7,9H2,1-2H3
InChIKeyNMBRVMYPXOEDSH-UHFFFAOYSA-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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Related Compounds

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(E,2S)-dec-3-ene-1,2-diol
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(E)-1-aminodec-3-en-2-ol
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icosa-7,15-diene-6,9-diol
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(16R)-icosa-5,14-diene-1,16-diol
CID 91200816
(E,12R)-12-hydroxyheptadec-10-enoic acid
CID 129382398
(E,13R)-13-hydroxyoctadec-11-enoic acid
CID 56935869
(Z,16R)-16-hydroxyhenicos-14-enoic acid
CID 11439238
(Z,4R)-2-methyldodec-5-en-4-ol
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(4E,12E)-14-hydroxyicosa-4,12-dienoic acid
CID 102068269

Frequently Asked Questions

What is the IUPAC name of undec-5-en-4-ol?
The IUPAC name of undec-5-en-4-ol (CID 73071371) is undec-5-en-4-ol.
What is the SMILES notation for undec-5-en-4-ol?
The canonical SMILES for undec-5-en-4-ol is CCCCCC=CC(O)CCC.
What is the InChIKey of undec-5-en-4-ol?
The InChIKey is NMBRVMYPXOEDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-3-5-6-7-8-10-11(12)9-4-2/h8,10-12H,3-7,9H2,1-2H3.
What are the key properties of undec-5-en-4-ol?
undec-5-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 undec-5-en-4-ol is sourced from PubChem (CID 73071371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).