undec-10-ynoyl chloride

C11H17ClO — CID 15389915

IUPACundec-10-ynoyl chloride
SMILESC#CCCCCCCCCC(=O)Cl
InChIInChI=1S/C11H17ClO/c1-2-3-4-5-6-7-8-9-10-11(12)13/h1H,3-10H2
InChIKeyXKDNIPKFDFGOGE-UHFFFAOYSA-N
MW200.71 g/mol
LogP3.51
Rot. Bonds8

About undec-10-ynoyl chloride

undec-10-ynoyl chloride (PubChem CID 15389915) has the molecular formula C11H17ClO and a molecular weight of 200.71 g/mol. Its IUPAC name is undec-10-ynoyl chloride.

Molecular Properties

Compound Nameundec-10-ynoyl chloride
PubChem CID15389915
Molecular FormulaC11H17ClO
Molecular Weight200.71 g/mol
Exact Mass200.10
IUPAC Nameundec-10-ynoyl chloride
SMILESC#CCCCCCCCCC(=O)Cl
InChIInChI=1S/C11H17ClO/c1-2-3-4-5-6-7-8-9-10-11(12)13/h1H,3-10H2
InChIKeyXKDNIPKFDFGOGE-UHFFFAOYSA-N
XLogP3.51
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.71
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tetradec-13-ynamide
CID 19767571
heptadec-16-ynoic acid
CID 5312626
trideca-1,12-diyne
CID 13119526
heptatriaconta-1,36-diyne
CID 58527209
nonadec-18-yn-8-one
CID 142782006
N-methyloct-7-ynamide
CID 175792048
N-hydroxyhept-6-ynamide
CID 71623064
1-bromooct-7-yn-2-one
CID 46180063
6-hydroxyhexanoyl chloride
CID 87077852
hexane-1,6-diol;hexanedioyl dichloride
CID 86756475
6-(hex-5-ynylamino)hexanoic acid
CID 106212008
tert-butyl undec-10-ynoate
CID 134894992

Frequently Asked Questions

What is the IUPAC name of undec-10-ynoyl chloride?
The IUPAC name of undec-10-ynoyl chloride (CID 15389915) is undec-10-ynoyl chloride.
What is the SMILES notation for undec-10-ynoyl chloride?
The canonical SMILES for undec-10-ynoyl chloride is C#CCCCCCCCCC(=O)Cl.
What is the InChIKey of undec-10-ynoyl chloride?
The InChIKey is XKDNIPKFDFGOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClO/c1-2-3-4-5-6-7-8-9-10-11(12)13/h1H,3-10H2.
What are the key properties of undec-10-ynoyl chloride?
undec-10-ynoyl chloride has a molecular weight of 200.71 g/mol, XLogP of 3.51, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for undec-10-ynoyl chloride is sourced from PubChem (CID 15389915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).