11-chloro-1,1-diethoxyundec-2-yne

C15H27ClO2 — CID 10707513

IUPAC11-chloro-1,1-diethoxyundec-2-yne
SMILESCCOC(C#CCCCCCCCCCl)OCC
InChIInChI=1S/C15H27ClO2/c1-3-17-15(18-4-2)13-11-9-7-5-6-8-10-12-14-16/h15H,3-10,12,14H2,1-2H3
InChIKeyBZTNLNCATCOKGK-UHFFFAOYSA-N
MW274.83 g/mol
LogP4.36
Rot. Bonds11

About 11-chloro-1,1-diethoxyundec-2-yne

11-chloro-1,1-diethoxyundec-2-yne (PubChem CID 10707513) has the molecular formula C15H27ClO2 and a molecular weight of 274.83 g/mol. Its IUPAC name is 11-chloro-1,1-diethoxyundec-2-yne.

Molecular Properties

Compound Name11-chloro-1,1-diethoxyundec-2-yne
PubChem CID10707513
Molecular FormulaC15H27ClO2
Molecular Weight274.83 g/mol
Exact Mass274.17
IUPAC Name11-chloro-1,1-diethoxyundec-2-yne
SMILESCCOC(C#CCCCCCCCCCl)OCC
InChIInChI=1S/C15H27ClO2/c1-3-17-15(18-4-2)13-11-9-7-5-6-8-10-12-14-16/h15H,3-10,12,14H2,1-2H3
InChIKeyBZTNLNCATCOKGK-UHFFFAOYSA-N
XLogP4.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.83
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-(1-ethoxypentadec-2-ynoxy)butan-1-ol
CID 15003163
9-chloro-1,1-diethoxynon-2-yn-4-one
CID 134836287
2-[1-(2-hydroxyethoxy)pentadec-2-ynoxy]ethanol
CID 15003147
1,10-dichlorodec-4-yne
CID 131855831
1-chloropentadeca-5,10-diyne
CID 560942
4,4-diethoxy-N,N-dimethylbut-2-yn-1-amine
CID 13066054
16-chlorohexadeca-6,9-diyne
CID 15606230
4-[1-(3-carboxypropoxy)non-2-ynoxy]butanoic acid
CID 15003142
ethyl 9,9-dibutoxynon-7-ynoate
CID 138520163
1,12-dichlorododec-1-yne
CID 88653164
11,11-dibutoxy-1-chloroundec-4-yne
CID 165174995
8-chlorooct-1-ynyl(trimethyl)silane
CID 14451681

Frequently Asked Questions

What is the IUPAC name of 11-chloro-1,1-diethoxyundec-2-yne?
The IUPAC name of 11-chloro-1,1-diethoxyundec-2-yne (CID 10707513) is 11-chloro-1,1-diethoxyundec-2-yne.
What is the SMILES notation for 11-chloro-1,1-diethoxyundec-2-yne?
The canonical SMILES for 11-chloro-1,1-diethoxyundec-2-yne is CCOC(C#CCCCCCCCCCl)OCC.
What is the InChIKey of 11-chloro-1,1-diethoxyundec-2-yne?
The InChIKey is BZTNLNCATCOKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27ClO2/c1-3-17-15(18-4-2)13-11-9-7-5-6-8-10-12-14-16/h15H,3-10,12,14H2,1-2H3.
What are the key properties of 11-chloro-1,1-diethoxyundec-2-yne?
11-chloro-1,1-diethoxyundec-2-yne has a molecular weight of 274.83 g/mol, XLogP of 4.36, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-chloro-1,1-diethoxyundec-2-yne is sourced from PubChem (CID 10707513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).