11-hydroxyundec-7-ynoic acid

C11H18O3 — CID 44576578

IUPAC11-hydroxyundec-7-ynoic acid
SMILESO=C(O)CCCCCC#CCCCO
InChIInChI=1S/C11H18O3/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h12H,1,3,5-10H2,(H,13,14)
InChIKeyQRRCXSBNDNFJRV-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.80
Rot. Bonds7

About 11-hydroxyundec-7-ynoic acid

11-hydroxyundec-7-ynoic acid (PubChem CID 44576578) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 11-hydroxyundec-7-ynoic acid.

Molecular Properties

Compound Name11-hydroxyundec-7-ynoic acid
PubChem CID44576578
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name11-hydroxyundec-7-ynoic acid
SMILESO=C(O)CCCCCC#CCCCO
InChIInChI=1S/C11H18O3/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h12H,1,3,5-10H2,(H,13,14)
InChIKeyQRRCXSBNDNFJRV-UHFFFAOYSA-N
XLogP1.80
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.80
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

tetracos-12-ynedioic acid
CID 14631215
tridec-9-ynoic acid
CID 5312723
icosa-4,16-diynedioic acid
CID 121000180
16-hydroxyhexadeca-5,8,11-triynoic acid
CID 123580508
heptacosa-10,12,17-triynedioic acid
CID 4107670
tricosa-10,12-diynedioic acid
CID 3516470
dotriacont-13-ynoic acid
CID 16654690
docosa-7,15-diynoic acid
CID 87546312
pentacos-6-ynoic acid
CID 71542375
10-hydroxydecanoic acid
CID 138734563
38-hydroxyoctatriacontanoic acid
CID 18981443
31-hydroxyhentriacontanoic acid
CID 71339995

Frequently Asked Questions

What is the IUPAC name of 11-hydroxyundec-7-ynoic acid?
The IUPAC name of 11-hydroxyundec-7-ynoic acid (CID 44576578) is 11-hydroxyundec-7-ynoic acid.
What is the SMILES notation for 11-hydroxyundec-7-ynoic acid?
The canonical SMILES for 11-hydroxyundec-7-ynoic acid is O=C(O)CCCCCC#CCCCO.
What is the InChIKey of 11-hydroxyundec-7-ynoic acid?
The InChIKey is QRRCXSBNDNFJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h12H,1,3,5-10H2,(H,13,14).
What are the key properties of 11-hydroxyundec-7-ynoic acid?
11-hydroxyundec-7-ynoic acid has a molecular weight of 198.26 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-hydroxyundec-7-ynoic acid is sourced from PubChem (CID 44576578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).