dec-2-en-4-yne

C10H16 — CID 54142868

IUPACdec-2-en-4-yne
SMILESCC=CC#CCCCCC
InChIInChI=1S/C10H16/c1-3-5-7-9-10-8-6-4-2/h3,5H,4,6,8,10H2,1-2H3
InChIKeyOKGDXRVAVBPWFL-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.15
Rot. Bonds3

About dec-2-en-4-yne

dec-2-en-4-yne (PubChem CID 54142868) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is dec-2-en-4-yne.

Molecular Properties

Compound Namedec-2-en-4-yne
PubChem CID54142868
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Namedec-2-en-4-yne
SMILESCC=CC#CCCCCC
InChIInChI=1S/C10H16/c1-3-5-7-9-10-8-6-4-2/h3,5H,4,6,8,10H2,1-2H3
InChIKeyOKGDXRVAVBPWFL-UHFFFAOYSA-N
XLogP3.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(E)-non-2-en-4-yne
CID 5367387
(Z)-oct-2-en-4-yne
CID 5367022
(Z)-heptadec-8-en-6-yne
CID 101260338
1-iodonon-1-en-3-yne
CID 71425479
(E)-undec-3-en-5-yne
CID 5367449
(Z)-heptadec-3-en-5-yne
CID 5367448
(Z)-1-chlorodec-1-en-3-yne
CID 124646971
(2E,4Z)-undeca-2,4-dien-6-yne
CID 102094475
(Z)-tetradec-6-en-4,8-diyn-1-ol
CID 100971906
(E)-tridec-4-en-6-yn-1-ol
CID 15420486
(3Z)-2-methylundeca-1,3-dien-5-yne
CID 102067427
(Z)-1-butylsulfanyldec-1-en-3-yne
CID 102456339

Frequently Asked Questions

What is the IUPAC name of dec-2-en-4-yne?
The IUPAC name of dec-2-en-4-yne (CID 54142868) is dec-2-en-4-yne.
What is the SMILES notation for dec-2-en-4-yne?
The canonical SMILES for dec-2-en-4-yne is CC=CC#CCCCCC.
What is the InChIKey of dec-2-en-4-yne?
The InChIKey is OKGDXRVAVBPWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-3-5-7-9-10-8-6-4-2/h3,5H,4,6,8,10H2,1-2H3.
What are the key properties of dec-2-en-4-yne?
dec-2-en-4-yne has a molecular weight of 136.24 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dec-2-en-4-yne is sourced from PubChem (CID 54142868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).