12-prop-2-ynoxydodecan-1-ol

C15H28O2 — CID 21311697

IUPAC12-prop-2-ynoxydodecan-1-ol
SMILESC#CCOCCCCCCCCCCCCO
InChIInChI=1S/C15H28O2/c1-2-14-17-15-12-10-8-6-4-3-5-7-9-11-13-16/h1,16H,3-15H2
InChIKeyDALARRSRCNYWSO-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.53
Rot. Bonds13

About 12-prop-2-ynoxydodecan-1-ol

12-prop-2-ynoxydodecan-1-ol (PubChem CID 21311697) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 12-prop-2-ynoxydodecan-1-ol.

Molecular Properties

Compound Name12-prop-2-ynoxydodecan-1-ol
PubChem CID21311697
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name12-prop-2-ynoxydodecan-1-ol
SMILESC#CCOCCCCCCCCCCCCO
InChIInChI=1S/C15H28O2/c1-2-14-17-15-12-10-8-6-4-3-5-7-9-11-13-16/h1,16H,3-15H2
InChIKeyDALARRSRCNYWSO-UHFFFAOYSA-N
XLogP3.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.53
H-Bond Donors ≤ 51
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

5-prop-2-ynoxypentan-1-ol
CID 10796854
1-bromo-5-prop-2-ynoxypentane;1,5-dibromopentane;prop-2-yn-1-ol
CID 167544576
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 156597060
2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethanol
CID 11506589
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 130317798
7-prop-2-ynoxyheptanamide
CID 91308975
4-[6-(3-hydroxypropoxy)hexoxy]butan-1-ol
CID 90752305
4-prop-2-ynoxybutan-1-amine
CID 126972070
5-(hydroxymethoxy)pentan-1-ol
CID 54230707
3-methylidene-8-prop-2-ynoxyoct-1-ene
CID 13485192
5-(2-bromoethoxy)pentan-1-ol
CID 87396378
ethane-1,2-diol;4-[4-(4-hydroxybutoxy)butoxy]butan-1-ol
CID 87472116

Frequently Asked Questions

What is the IUPAC name of 12-prop-2-ynoxydodecan-1-ol?
The IUPAC name of 12-prop-2-ynoxydodecan-1-ol (CID 21311697) is 12-prop-2-ynoxydodecan-1-ol.
What is the SMILES notation for 12-prop-2-ynoxydodecan-1-ol?
The canonical SMILES for 12-prop-2-ynoxydodecan-1-ol is C#CCOCCCCCCCCCCCCO.
What is the InChIKey of 12-prop-2-ynoxydodecan-1-ol?
The InChIKey is DALARRSRCNYWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-2-14-17-15-12-10-8-6-4-3-5-7-9-11-13-16/h1,16H,3-15H2.
What are the key properties of 12-prop-2-ynoxydodecan-1-ol?
12-prop-2-ynoxydodecan-1-ol has a molecular weight of 240.39 g/mol, XLogP of 3.53, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-prop-2-ynoxydodecan-1-ol is sourced from PubChem (CID 21311697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).