undec-1-en-4-ol

C11H22O — CID 10103696

IUPACundec-1-en-4-ol
SMILESC=CCC(O)CCCCCCC
InChIInChI=1S/C11H22O/c1-3-5-6-7-8-10-11(12)9-4-2/h4,11-12H,2-3,5-10H2,1H3
InChIKeyNCDKMTFVFSSJEX-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.28
Rot. Bonds8

About undec-1-en-4-ol

undec-1-en-4-ol (PubChem CID 10103696) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is undec-1-en-4-ol.

Molecular Properties

Compound Nameundec-1-en-4-ol
PubChem CID10103696
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Nameundec-1-en-4-ol
SMILESC=CCC(O)CCCCCCC
InChIInChI=1S/C11H22O/c1-3-5-6-7-8-10-11(12)9-4-2/h4,11-12H,2-3,5-10H2,1H3
InChIKeyNCDKMTFVFSSJEX-UHFFFAOYSA-N
XLogP3.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
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 undec-1-en-4-ol?
The IUPAC name of undec-1-en-4-ol (CID 10103696) is undec-1-en-4-ol.
What is the SMILES notation for undec-1-en-4-ol?
The canonical SMILES for undec-1-en-4-ol is C=CCC(O)CCCCCCC.
What is the InChIKey of undec-1-en-4-ol?
The InChIKey is NCDKMTFVFSSJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-3-5-6-7-8-10-11(12)9-4-2/h4,11-12H,2-3,5-10H2,1H3.
What are the key properties of undec-1-en-4-ol?
undec-1-en-4-ol has a molecular weight of 170.30 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for undec-1-en-4-ol is sourced from PubChem (CID 10103696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).