undec-2-yne-1,5-diol

C11H20O2 — CID 14791778

IUPACundec-2-yne-1,5-diol
SMILESCCCCCCC(O)CC#CCO
InChIInChI=1S/C11H20O2/c1-2-3-4-5-8-11(13)9-6-7-10-12/h11-13H,2-5,8-10H2,1H3
InChIKeyMLUGMTOIDXSWEK-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.70
Rot. Bonds6

About undec-2-yne-1,5-diol

undec-2-yne-1,5-diol (PubChem CID 14791778) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is undec-2-yne-1,5-diol.

Molecular Properties

Compound Nameundec-2-yne-1,5-diol
PubChem CID14791778
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Nameundec-2-yne-1,5-diol
SMILESCCCCCCC(O)CC#CCO
InChIInChI=1S/C11H20O2/c1-2-3-4-5-8-11(13)9-6-7-10-12/h11-13H,2-5,8-10H2,1H3
InChIKeyMLUGMTOIDXSWEK-UHFFFAOYSA-N
XLogP1.70
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 3020851
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CID 22568705
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Frequently Asked Questions

What is the IUPAC name of undec-2-yne-1,5-diol?
The IUPAC name of undec-2-yne-1,5-diol (CID 14791778) is undec-2-yne-1,5-diol.
What is the SMILES notation for undec-2-yne-1,5-diol?
The canonical SMILES for undec-2-yne-1,5-diol is CCCCCCC(O)CC#CCO.
What is the InChIKey of undec-2-yne-1,5-diol?
The InChIKey is MLUGMTOIDXSWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-2-3-4-5-8-11(13)9-6-7-10-12/h11-13H,2-5,8-10H2,1H3.
What are the key properties of undec-2-yne-1,5-diol?
undec-2-yne-1,5-diol has a molecular weight of 184.28 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for undec-2-yne-1,5-diol is sourced from PubChem (CID 14791778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).