deca-1,9-dien-3,7-diyne

C10H10 — CID 12526720

IUPACdeca-1,9-dien-3,7-diyne
SMILESC=CC#CCCC#CC=C
InChIInChI=1S/C10H10/c1-3-5-7-9-10-8-6-4-2/h3-4H,1-2,9-10H2
InChIKeyKEAJWSCCMTVQSM-UHFFFAOYSA-N
MW130.19 g/mol
LogP2.15
Rot. Bonds1

About deca-1,9-dien-3,7-diyne

deca-1,9-dien-3,7-diyne (PubChem CID 12526720) has the molecular formula C10H10 and a molecular weight of 130.19 g/mol. Its IUPAC name is deca-1,9-dien-3,7-diyne.

Molecular Properties

Compound Namedeca-1,9-dien-3,7-diyne
PubChem CID12526720
Molecular FormulaC10H10
Molecular Weight130.19 g/mol
Exact Mass130.08
IUPAC Namedeca-1,9-dien-3,7-diyne
SMILESC=CC#CCCC#CC=C
InChIInChI=1S/C10H10/c1-3-5-7-9-10-8-6-4-2/h3-4H,1-2,9-10H2
InChIKeyKEAJWSCCMTVQSM-UHFFFAOYSA-N
XLogP2.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 52.15
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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Frequently Asked Questions

What is the IUPAC name of deca-1,9-dien-3,7-diyne?
The IUPAC name of deca-1,9-dien-3,7-diyne (CID 12526720) is deca-1,9-dien-3,7-diyne.
What is the SMILES notation for deca-1,9-dien-3,7-diyne?
The canonical SMILES for deca-1,9-dien-3,7-diyne is C=CC#CCCC#CC=C.
What is the InChIKey of deca-1,9-dien-3,7-diyne?
The InChIKey is KEAJWSCCMTVQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10/c1-3-5-7-9-10-8-6-4-2/h3-4H,1-2,9-10H2.
What are the key properties of deca-1,9-dien-3,7-diyne?
deca-1,9-dien-3,7-diyne has a molecular weight of 130.19 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for deca-1,9-dien-3,7-diyne is sourced from PubChem (CID 12526720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).