methane;bis(propa-1,2-diene)

C8H16 — CID 158722714

IUPACmethane;bis(propa-1,2-diene)
SMILESC.C.C=C=C.C=C=C
InChIInChI=1S/2C3H4.2CH4/c2*1-3-2;;/h2*1-2H2;2*1H4
InChIKeyIKCRBHGGYHHQRS-UHFFFAOYSA-N
MW112.22 g/mol
LogP3.19
Rot. Bonds

About methane;bis(propa-1,2-diene)

methane;bis(propa-1,2-diene) (PubChem CID 158722714) has the molecular formula C8H16 and a molecular weight of 112.22 g/mol. Its IUPAC name is methane;bis(propa-1,2-diene).

Molecular Properties

Compound Namemethane;bis(propa-1,2-diene)
PubChem CID158722714
Molecular FormulaC8H16
Molecular Weight112.22 g/mol
Exact Mass112.13
IUPAC Namemethane;bis(propa-1,2-diene)
SMILESC.C.C=C=C.C=C=C
InChIInChI=1S/2C3H4.2CH4/c2*1-3-2;;/h2*1-2H2;2*1H4
InChIKeyIKCRBHGGYHHQRS-UHFFFAOYSA-N
XLogP3.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.22
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of methane;bis(propa-1,2-diene)?
The IUPAC name of methane;bis(propa-1,2-diene) (CID 158722714) is methane;bis(propa-1,2-diene).
What is the SMILES notation for methane;bis(propa-1,2-diene)?
The canonical SMILES for methane;bis(propa-1,2-diene) is C.C.C=C=C.C=C=C.
What is the InChIKey of methane;bis(propa-1,2-diene)?
The InChIKey is IKCRBHGGYHHQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H4.2CH4/c2*1-3-2;;/h2*1-2H2;2*1H4.
What are the key properties of methane;bis(propa-1,2-diene)?
methane;bis(propa-1,2-diene) has a molecular weight of 112.22 g/mol, XLogP of 3.19, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;bis(propa-1,2-diene) is sourced from PubChem (CID 158722714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).