ethane;ethene;2-methylbut-1-ene;2-methyl-3-methylidenepent-1-ene;propane

C21H44 — CID 145442822

IUPACethane;ethene;2-methylbut-1-ene;2-methyl-3-methylidenepent-1-ene;propane
SMILESC=C.C=C.C=C(C)C(=C)CC.C=C(C)CC.CC.CCC
InChIInChI=1S/C7H12.C5H10.C3H8.C2H6.2C2H4/c1-5-7(4)6(2)3;1-4-5(2)3;1-3-2;3*1-2/h2,4-5H2,1,3H3;2,4H2,1,3H3;3H2,1-2H3;1-2H3;2*1-2H2
InChIKeyAHRZDCRLUBQULR-UHFFFAOYSA-N
MW296.58 g/mol
LogP8.55
Rot. Bonds3

About ethane;ethene;2-methylbut-1-ene;2-methyl-3-methylidenepent-1-ene;propane

ethane;ethene;2-methylbut-1-ene;2-methyl-3-methylidenepent-1-ene;propane (PubChem CID 145442822) has the molecular formula C21H44 and a molecular weight of 296.58 g/mol. Its IUPAC name is ethane;ethene;2-methylbut-1-ene;2-methyl-3-methylidenepent-1-ene;propane.

Molecular Properties

Compound Nameethane;ethene;2-methylbut-1-ene;2-methyl-3-methylidenepent-1-ene;propane
PubChem CID145442822
Molecular FormulaC21H44
Molecular Weight296.58 g/mol
Exact Mass296.34
IUPAC Nameethane;ethene;2-methylbut-1-ene;2-methyl-3-methylidenepent-1-ene;propane
SMILESC=C.C=C.C=C(C)C(=C)CC.C=C(C)CC.CC.CCC
InChIInChI=1S/C7H12.C5H10.C3H8.C2H6.2C2H4/c1-5-7(4)6(2)3;1-4-5(2)3;1-3-2;3*1-2/h2,4-5H2,1,3H3;2,4H2,1,3H3;3H2,1-2H3;1-2H3;2*1-2H2
InChIKeyAHRZDCRLUBQULR-UHFFFAOYSA-N
XLogP8.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.58
LogP ≤ 58.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(E,E)-7,11,15-Trimethyl-3-methylene-hexadeca-1,6,10,14-tetraene
CID 5365895
beta-Geranylfarnesene
CID 102232250
7,11,15-Trimethyl-3-methylene-1,6,10,14-hexadecatetraene
CID 549681
beta-Hexaprene
CID 102502421
tributyl-[(1E)-3-methylbuta-1,3-dienyl]stannane
CID 15084773
Ethene;2-methylpent-1-ene
CID 141910944
tributyl-[(1E)-2-methylbuta-1,3-dienyl]stannane
CID 11222036
Tributyl(4-methylpenta-1,4-dien-1-yl)stannane
CID 11257245
14,15-Dimethylideneoctacosane
CID 13442274
Tributyl(2-methylidenebut-3-enyl)stannane
CID 10689657
9,10-Dimethylideneoctadecane
CID 11425941
3-Methylidenenonadec-1-ene
CID 12738505

Frequently Asked Questions

What is the IUPAC name of ethane;ethene;2-methylbut-1-ene;2-methyl-3-methylidenepent-1-ene;propane?
The IUPAC name of ethane;ethene;2-methylbut-1-ene;2-methyl-3-methylidenepent-1-ene;propane (CID 145442822) is ethane;ethene;2-methylbut-1-ene;2-methyl-3-methylidenepent-1-ene;propane.
What is the SMILES notation for ethane;ethene;2-methylbut-1-ene;2-methyl-3-methylidenepent-1-ene;propane?
The canonical SMILES for ethane;ethene;2-methylbut-1-ene;2-methyl-3-methylidenepent-1-ene;propane is C=C.C=C.C=C(C)C(=C)CC.C=C(C)CC.CC.CCC.
What is the InChIKey of ethane;ethene;2-methylbut-1-ene;2-methyl-3-methylidenepent-1-ene;propane?
The InChIKey is AHRZDCRLUBQULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12.C5H10.C3H8.C2H6.2C2H4/c1-5-7(4)6(2)3;1-4-5(2)3;1-3-2;3*1-2/h2,4-5H2,1,3H3;2,4H2,1,3H3;3H2,1-2H3;1-2H3;2*1-2H2.
What are the key properties of ethane;ethene;2-methylbut-1-ene;2-methyl-3-methylidenepent-1-ene;propane?
ethane;ethene;2-methylbut-1-ene;2-methyl-3-methylidenepent-1-ene;propane has a molecular weight of 296.58 g/mol, XLogP of 8.55, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;2-methylbut-1-ene;2-methyl-3-methylidenepent-1-ene;propane is sourced from PubChem (CID 145442822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).