tetradec-7-yn-6-one

C14H24O — CID 12537067

IUPACtetradec-7-yn-6-one
SMILESCCCCCCC#CC(=O)CCCCC
InChIInChI=1S/C14H24O/c1-3-5-7-8-9-11-13-14(15)12-10-6-4-2/h3-10,12H2,1-2H3
InChIKeyLUMWCVMGPWVUDJ-UHFFFAOYSA-N
MW208.34 g/mol
LogP4.11
Rot. Bonds8

About tetradec-7-yn-6-one

tetradec-7-yn-6-one (PubChem CID 12537067) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is tetradec-7-yn-6-one.

Molecular Properties

Compound Nametetradec-7-yn-6-one
PubChem CID12537067
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Nametetradec-7-yn-6-one
SMILESCCCCCCC#CC(=O)CCCCC
InChIInChI=1S/C14H24O/c1-3-5-7-8-9-11-13-14(15)12-10-6-4-2/h3-10,12H2,1-2H3
InChIKeyLUMWCVMGPWVUDJ-UHFFFAOYSA-N
XLogP4.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

pentadec-8-yn-7-one
CID 10846701
methyl 8-oxooctadec-9-ynoate
CID 71332554
undec-6-yn-5-one
CID 11240698
10-oxohexadec-2-ynoic acid
CID 123950800
heptadec-2-ynoic acid
CID 22600366
undec-3-yn-2-one
CID 15626863
ethyl 6-oxododec-7-ynoate
CID 12023271
docosa-7,15-diynoic acid
CID 87546312
dotriacont-13-ynoic acid
CID 16654690
pentacos-6-ynoic acid
CID 71542375
non-4-yn-3-one
CID 10887980
carbonic acid;tetradec-7-yne
CID 90353944

Frequently Asked Questions

What is the IUPAC name of tetradec-7-yn-6-one?
The IUPAC name of tetradec-7-yn-6-one (CID 12537067) is tetradec-7-yn-6-one.
What is the SMILES notation for tetradec-7-yn-6-one?
The canonical SMILES for tetradec-7-yn-6-one is CCCCCCC#CC(=O)CCCCC.
What is the InChIKey of tetradec-7-yn-6-one?
The InChIKey is LUMWCVMGPWVUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-3-5-7-8-9-11-13-14(15)12-10-6-4-2/h3-10,12H2,1-2H3.
What are the key properties of tetradec-7-yn-6-one?
tetradec-7-yn-6-one has a molecular weight of 208.34 g/mol, XLogP of 4.11, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tetradec-7-yn-6-one is sourced from PubChem (CID 12537067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).