1-(2-hydroxybutoxy)dec-3-yn-2-ol

C14H26O3 — CID 139254011

IUPAC1-(2-hydroxybutoxy)dec-3-yn-2-ol
SMILESCCCCCCC#CC(O)COCC(O)CC
InChIInChI=1S/C14H26O3/c1-3-5-6-7-8-9-10-14(16)12-17-11-13(15)4-2/h13-16H,3-8,11-12H2,1-2H3
InChIKeyNEPSCICDVYXJTC-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.11
Rot. Bonds9

About 1-(2-hydroxybutoxy)dec-3-yn-2-ol

1-(2-hydroxybutoxy)dec-3-yn-2-ol (PubChem CID 139254011) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-(2-hydroxybutoxy)dec-3-yn-2-ol.

Molecular Properties

Compound Name1-(2-hydroxybutoxy)dec-3-yn-2-ol
PubChem CID139254011
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name1-(2-hydroxybutoxy)dec-3-yn-2-ol
SMILESCCCCCCC#CC(O)COCC(O)CC
InChIInChI=1S/C14H26O3/c1-3-5-6-7-8-9-10-14(16)12-17-11-13(15)4-2/h13-16H,3-8,11-12H2,1-2H3
InChIKeyNEPSCICDVYXJTC-UHFFFAOYSA-N
XLogP2.11
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-13-yn-12-ol
CID 169488986
heptacos-10-yn-9-ol
CID 11058298
(2R)-dec-3-yn-2-ol
CID 129384454
(2S)-heptadec-3-yn-2-ol
CID 58473313
non-3-yne-1,2-diol
CID 72760493
(2S)-1-octoxybutan-2-ol
CID 88988399
1-icosoxybutan-2-ol
CID 58176389
icosa-6,15-diyn-5-ol
CID 18710567
ethyl 4-hydroxytetradec-5-ynoate
CID 19734178
(16R)-16-hydroxyicos-14-ynenitrile
CID 87985240
1-(2-propylhexoxy)butan-2-ol
CID 58918426
(2R)-1-butoxybutan-2-ol
CID 27255938

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxybutoxy)dec-3-yn-2-ol?
The IUPAC name of 1-(2-hydroxybutoxy)dec-3-yn-2-ol (CID 139254011) is 1-(2-hydroxybutoxy)dec-3-yn-2-ol.
What is the SMILES notation for 1-(2-hydroxybutoxy)dec-3-yn-2-ol?
The canonical SMILES for 1-(2-hydroxybutoxy)dec-3-yn-2-ol is CCCCCCC#CC(O)COCC(O)CC.
What is the InChIKey of 1-(2-hydroxybutoxy)dec-3-yn-2-ol?
The InChIKey is NEPSCICDVYXJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c1-3-5-6-7-8-9-10-14(16)12-17-11-13(15)4-2/h13-16H,3-8,11-12H2,1-2H3.
What are the key properties of 1-(2-hydroxybutoxy)dec-3-yn-2-ol?
1-(2-hydroxybutoxy)dec-3-yn-2-ol has a molecular weight of 242.36 g/mol, XLogP of 2.11, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxybutoxy)dec-3-yn-2-ol is sourced from PubChem (CID 139254011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).