dec-3-ynyl cyclopropanecarboxylate

C14H22O2 — CID 21495488

IUPACdec-3-ynyl cyclopropanecarboxylate
SMILESCCCCCCC#CCCOC(=O)C1CC1
InChIInChI=1S/C14H22O2/c1-2-3-4-5-6-7-8-9-12-16-14(15)13-10-11-13/h13H,2-6,9-12H2,1H3
InChIKeyWTEREFBAPSHPSX-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.30
Rot. Bonds7

About dec-3-ynyl cyclopropanecarboxylate

dec-3-ynyl cyclopropanecarboxylate (PubChem CID 21495488) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is dec-3-ynyl cyclopropanecarboxylate.

Molecular Properties

Compound Namedec-3-ynyl cyclopropanecarboxylate
PubChem CID21495488
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Namedec-3-ynyl cyclopropanecarboxylate
SMILESCCCCCCC#CCCOC(=O)C1CC1
InChIInChI=1S/C14H22O2/c1-2-3-4-5-6-7-8-9-12-16-14(15)13-10-11-13/h13H,2-6,9-12H2,1H3
InChIKeyWTEREFBAPSHPSX-UHFFFAOYSA-N
XLogP3.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze dec-3-ynyl cyclopropanecarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-O-decyl 1-O-octyl cyclohexane-1,4-dicarboxylate
CID 66984073
pentadecyl cyclopropanecarboxylate
CID 560133
hexadecyl cyclopropanecarboxylate;silver
CID 87290012
4-hexoxycarbonylcyclohexane-1-carboxylic acid
CID 66983917
4-heptoxycarbonylcyclohexane-1-carboxylic acid
CID 66984396
4-tridecoxycarbonylcyclohexane-1-carboxylic acid
CID 141262604
nonyl cyclopentanecarboxylate
CID 575427
4-O-(9-methyldecyl) 1-O-undecyl cyclohexane-1,4-dicarboxylate
CID 66984273
4-O-(9-methyldecyl) 1-O-pentyl cyclohexane-1,4-dicarboxylate
CID 66983804
4-O-propan-2-yl 1-O-undecyl cyclohexane-1,4-dicarboxylate
CID 90870155
4-O-propan-2-yl 1-O-tridecyl cyclohexane-1,4-dicarboxylate
CID 91412233
4-O-(8-methylnonyl) 1-O-pentyl cyclohexane-1,4-dicarboxylate
CID 66983845

Frequently Asked Questions

What is the IUPAC name of dec-3-ynyl cyclopropanecarboxylate?
The IUPAC name of dec-3-ynyl cyclopropanecarboxylate (CID 21495488) is dec-3-ynyl cyclopropanecarboxylate.
What is the SMILES notation for dec-3-ynyl cyclopropanecarboxylate?
The canonical SMILES for dec-3-ynyl cyclopropanecarboxylate is CCCCCCC#CCCOC(=O)C1CC1.
What is the InChIKey of dec-3-ynyl cyclopropanecarboxylate?
The InChIKey is WTEREFBAPSHPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-2-3-4-5-6-7-8-9-12-16-14(15)13-10-11-13/h13H,2-6,9-12H2,1H3.
What are the key properties of dec-3-ynyl cyclopropanecarboxylate?
dec-3-ynyl cyclopropanecarboxylate has a molecular weight of 222.33 g/mol, XLogP of 3.30, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dec-3-ynyl cyclopropanecarboxylate is sourced from PubChem (CID 21495488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).