(513C)cyclodec-5-yn-1-one

C10H14O — CID 10351867

IUPAC(513C)cyclodec-5-yn-1-one
SMILESO=C1CCCCC#[13C]CCC1
InChIInChI=1S/C10H14O/c11-10-8-6-4-2-1-3-5-7-9-10/h2,4-9H2/i3+1
InChIKeyUXJBMXUARWYMJT-LBPDFUHNSA-N
MW151.21 g/mol
LogP2.30
Rot. Bonds

About (513C)cyclodec-5-yn-1-one

(513C)cyclodec-5-yn-1-one (PubChem CID 10351867) has the molecular formula C10H14O and a molecular weight of 151.21 g/mol. Its IUPAC name is (513C)cyclodec-5-yn-1-one.

Molecular Properties

Compound Name(513C)cyclodec-5-yn-1-one
PubChem CID10351867
Molecular FormulaC10H14O
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name(513C)cyclodec-5-yn-1-one
SMILESO=C1CCCCC#[13C]CCC1
InChIInChI=1S/C10H14O/c11-10-8-6-4-2-1-3-5-7-9-10/h2,4-9H2/i3+1
InChIKeyUXJBMXUARWYMJT-LBPDFUHNSA-N
XLogP2.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cyclododec-7-yne-1,2-dione
CID 15642696
cyclotricosanone
CID 54375596
CID 162230812
CID 162230812
cyclododecanone
CID 141308130
1-azacycloundec-9-yn-3-one
CID 87443606
cycloheptane-1,3-dione
CID 4072367
azane;cyclononanone
CID 172719607
cyclopentanone;sulfur monoxide
CID 70608857
cyclohexane;cyclohexanone;sulfane
CID 175236228
tricyclo[10.3.3.01,12]octadec-6-yne-14,17-dione
CID 10333453
lithium;cyclohexanone;hydride
CID 173089649
cycloheptanone;cyclohexanone;cyclopentanone;ethane
CID 158721030

Frequently Asked Questions

What is the IUPAC name of (513C)cyclodec-5-yn-1-one?
The IUPAC name of (513C)cyclodec-5-yn-1-one (CID 10351867) is (513C)cyclodec-5-yn-1-one.
What is the SMILES notation for (513C)cyclodec-5-yn-1-one?
The canonical SMILES for (513C)cyclodec-5-yn-1-one is O=C1CCCCC#[13C]CCC1.
What is the InChIKey of (513C)cyclodec-5-yn-1-one?
The InChIKey is UXJBMXUARWYMJT-LBPDFUHNSA-N. The full InChI is InChI=1S/C10H14O/c11-10-8-6-4-2-1-3-5-7-9-10/h2,4-9H2/i3+1.
What are the key properties of (513C)cyclodec-5-yn-1-one?
(513C)cyclodec-5-yn-1-one has a molecular weight of 151.21 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (513C)cyclodec-5-yn-1-one is sourced from PubChem (CID 10351867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).