methane;propa-1,2-diene;propane

C7H16 — CID 160788212

IUPACmethane;propa-1,2-diene;propane
SMILESC.C=C=C.CCC
InChIInChI=1S/C3H8.C3H4.CH4/c2*1-3-2;/h3H2,1-2H3;1-2H2;1H4
InChIKeySBMKOSAQQIJUPT-UHFFFAOYSA-N
MW100.20 g/mol
LogP3.01
Rot. Bonds

About methane;propa-1,2-diene;propane

methane;propa-1,2-diene;propane (PubChem CID 160788212) has the molecular formula C7H16 and a molecular weight of 100.20 g/mol. Its IUPAC name is methane;propa-1,2-diene;propane.

Molecular Properties

Compound Namemethane;propa-1,2-diene;propane
PubChem CID160788212
Molecular FormulaC7H16
Molecular Weight100.20 g/mol
Exact Mass100.13
IUPAC Namemethane;propa-1,2-diene;propane
SMILESC.C=C=C.CCC
InChIInChI=1S/C3H8.C3H4.CH4/c2*1-3-2;/h3H2,1-2H3;1-2H2;1H4
InChIKeySBMKOSAQQIJUPT-UHFFFAOYSA-N
XLogP3.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.20
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 174917673

Frequently Asked Questions

What is the IUPAC name of methane;propa-1,2-diene;propane?
The IUPAC name of methane;propa-1,2-diene;propane (CID 160788212) is methane;propa-1,2-diene;propane.
What is the SMILES notation for methane;propa-1,2-diene;propane?
The canonical SMILES for methane;propa-1,2-diene;propane is C.C=C=C.CCC.
What is the InChIKey of methane;propa-1,2-diene;propane?
The InChIKey is SBMKOSAQQIJUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8.C3H4.CH4/c2*1-3-2;/h3H2,1-2H3;1-2H2;1H4.
What are the key properties of methane;propa-1,2-diene;propane?
methane;propa-1,2-diene;propane has a molecular weight of 100.20 g/mol, XLogP of 3.01, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;propa-1,2-diene;propane is sourced from PubChem (CID 160788212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).