carbon dioxide;2-methylpent-2-ene

C7H12O2 — CID 174340897

IUPACcarbon dioxide;2-methylpent-2-ene
SMILESCCC=C(C)C.O=C=O
InChIInChI=1S/C6H12.CO2/c1-4-5-6(2)3;2-1-3/h5H,4H2,1-3H3;
InChIKeyRYIBDPOGMGAFDX-UHFFFAOYSA-N
MW128.17 g/mol
LogP1.78
Rot. Bonds1

About carbon dioxide;2-methylpent-2-ene

carbon dioxide;2-methylpent-2-ene (PubChem CID 174340897) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is carbon dioxide;2-methylpent-2-ene.

Molecular Properties

Compound Namecarbon dioxide;2-methylpent-2-ene
PubChem CID174340897
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Namecarbon dioxide;2-methylpent-2-ene
SMILESCCC=C(C)C.O=C=O
InChIInChI=1S/C6H12.CO2/c1-4-5-6(2)3;2-1-3/h5H,4H2,1-3H3;
InChIKeyRYIBDPOGMGAFDX-UHFFFAOYSA-N
XLogP1.78
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(but-1-ene);tetrakis(2-methylpent-2-ene)
CID 158752842
carbon dioxide;(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 174737986
tris(but-1-ene);tris(hex-3-ene);2-methylpent-2-ene;2-methylprop-1-ene
CID 160606549
(3E,7E,11E)-3,7,11-trimethyltetradeca-3,7,11-triene;(6E,10E)-2,6,10-trimethyltrideca-2,6,10-triene
CID 160792784
carbon dioxide;hex-3-ene;hydrate
CID 175552917
2-methylnona-2,5,6-triene
CID 173409169
(Z)-2-methylpent-2-enenitrile
CID 5352199
azane;carbon dioxide;ethanol
CID 87375143
methanediimine;bis(2-methylpent-2-enoic acid)
CID 173345731
2-methylpent-2-enamide
CID 66895957
(E)-2-methylpent-2-enethioate
CID 6365955
2-methylhex-2-ene;oxalonitrile
CID 174896444

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;2-methylpent-2-ene?
The IUPAC name of carbon dioxide;2-methylpent-2-ene (CID 174340897) is carbon dioxide;2-methylpent-2-ene.
What is the SMILES notation for carbon dioxide;2-methylpent-2-ene?
The canonical SMILES for carbon dioxide;2-methylpent-2-ene is CCC=C(C)C.O=C=O.
What is the InChIKey of carbon dioxide;2-methylpent-2-ene?
The InChIKey is RYIBDPOGMGAFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.CO2/c1-4-5-6(2)3;2-1-3/h5H,4H2,1-3H3;.
What are the key properties of carbon dioxide;2-methylpent-2-ene?
carbon dioxide;2-methylpent-2-ene has a molecular weight of 128.17 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;2-methylpent-2-ene is sourced from PubChem (CID 174340897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).