methane;bis(oct-3-yne)

C24H60 — CID 159540057

IUPACmethane;bis(oct-3-yne)
SMILESC.C.C.C.C.C.C.C.CCC#CCCCC.CCC#CCCCC
InChIInChI=1S/2C8H14.8CH4/c2*1-3-5-7-8-6-4-2;;;;;;;;/h2*3-5,7H2,1-2H3;8*1H4
InChIKeyMEBVVACQGHGSCR-UHFFFAOYSA-N
MW348.74 g/mol
LogP10.27
Rot. Bonds4

About methane;bis(oct-3-yne)

methane;bis(oct-3-yne) (PubChem CID 159540057) has the molecular formula C24H60 and a molecular weight of 348.74 g/mol. Its IUPAC name is methane;bis(oct-3-yne).

Molecular Properties

Compound Namemethane;bis(oct-3-yne)
PubChem CID159540057
Molecular FormulaC24H60
Molecular Weight348.74 g/mol
Exact Mass348.47
IUPAC Namemethane;bis(oct-3-yne)
SMILESC.C.C.C.C.C.C.C.CCC#CCCCC.CCC#CCCCC
InChIInChI=1S/2C8H14.8CH4/c2*1-3-5-7-8-6-4-2;;;;;;;;/h2*3-5,7H2,1-2H3;8*1H4
InChIKeyMEBVVACQGHGSCR-UHFFFAOYSA-N
XLogP10.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.74
LogP ≤ 510.27
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

hexadeca-3,9-diyne
CID 54568863
hexacos-3-yne
CID 22223851
pentadeca-5,10-diyne
CID 15530767
tetradeca-4,9-diyne
CID 173328648
carbonic acid;non-3-yne
CID 87169900
henicos-8-yne
CID 22224321
dodeca-4,7-diyne
CID 173074460
trideca-2,8-diyne
CID 90921383
oct-3-yne-1-thiol
CID 150444004
10-methylheptadec-3-yne
CID 22224077
icosa-5,8,11-triyne
CID 139696043
pentadeca-5,10-diyn-1-ol
CID 560933

Frequently Asked Questions

What is the IUPAC name of methane;bis(oct-3-yne)?
The IUPAC name of methane;bis(oct-3-yne) (CID 159540057) is methane;bis(oct-3-yne).
What is the SMILES notation for methane;bis(oct-3-yne)?
The canonical SMILES for methane;bis(oct-3-yne) is C.C.C.C.C.C.C.C.CCC#CCCCC.CCC#CCCCC.
What is the InChIKey of methane;bis(oct-3-yne)?
The InChIKey is MEBVVACQGHGSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H14.8CH4/c2*1-3-5-7-8-6-4-2;;;;;;;;/h2*3-5,7H2,1-2H3;8*1H4.
What are the key properties of methane;bis(oct-3-yne)?
methane;bis(oct-3-yne) has a molecular weight of 348.74 g/mol, XLogP of 10.27, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;bis(oct-3-yne) is sourced from PubChem (CID 159540057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).