ethane;prop-1-ene;2,2,3,3-tetramethylbutane

C13H30 — CID 153390024

IUPACethane;prop-1-ene;2,2,3,3-tetramethylbutane
SMILESC=CC.CC.CC(C)(C)C(C)(C)C
InChIInChI=1S/C8H18.C3H6.C2H6/c1-7(2,3)8(4,5)6;1-3-2;1-2/h1-6H3;3H,1H2,2H3;1-2H3
InChIKeyWJAWZWPAVPBXBL-UHFFFAOYSA-N
MW186.38 g/mol
LogP5.30
Rot. Bonds

About ethane;prop-1-ene;2,2,3,3-tetramethylbutane

ethane;prop-1-ene;2,2,3,3-tetramethylbutane (PubChem CID 153390024) has the molecular formula C13H30 and a molecular weight of 186.38 g/mol. Its IUPAC name is ethane;prop-1-ene;2,2,3,3-tetramethylbutane.

Molecular Properties

Compound Nameethane;prop-1-ene;2,2,3,3-tetramethylbutane
PubChem CID153390024
Molecular FormulaC13H30
Molecular Weight186.38 g/mol
Exact Mass186.23
IUPAC Nameethane;prop-1-ene;2,2,3,3-tetramethylbutane
SMILESC=CC.CC.CC(C)(C)C(C)(C)C
InChIInChI=1S/C8H18.C3H6.C2H6/c1-7(2,3)8(4,5)6;1-3-2;1-2/h1-6H3;3H,1H2,2H3;1-2H3
InChIKeyWJAWZWPAVPBXBL-UHFFFAOYSA-N
XLogP5.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500186.38
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;tetrakis(prop-1-ene)
CID 90918926
ethane;bis(prop-1-ene)
CID 91426438
ethane;methane;bis(prop-1-ene)
CID 159459488
prop-1-ene
CID 162178440
(Z)-but-2-ene;ethane;bis(prop-1-ene)
CID 144848347
ethene;tetrakis(prop-1-ene)
CID 158667737
λ2-plumbane;prop-1-ene
CID 173103273
azane;tris(prop-1-ene)
CID 162019717
azane;tris(prop-1-ene)
CID 173323353
bis(prop-1-ene);hydrate
CID 21257591
prop-1-ene;hydrochloride
CID 19097823
buta-1,3-diene;ethane;methane;prop-1-ene
CID 142056054

Frequently Asked Questions

What is the IUPAC name of ethane;prop-1-ene;2,2,3,3-tetramethylbutane?
The IUPAC name of ethane;prop-1-ene;2,2,3,3-tetramethylbutane (CID 153390024) is ethane;prop-1-ene;2,2,3,3-tetramethylbutane.
What is the SMILES notation for ethane;prop-1-ene;2,2,3,3-tetramethylbutane?
The canonical SMILES for ethane;prop-1-ene;2,2,3,3-tetramethylbutane is C=CC.CC.CC(C)(C)C(C)(C)C.
What is the InChIKey of ethane;prop-1-ene;2,2,3,3-tetramethylbutane?
The InChIKey is WJAWZWPAVPBXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18.C3H6.C2H6/c1-7(2,3)8(4,5)6;1-3-2;1-2/h1-6H3;3H,1H2,2H3;1-2H3.
What are the key properties of ethane;prop-1-ene;2,2,3,3-tetramethylbutane?
ethane;prop-1-ene;2,2,3,3-tetramethylbutane has a molecular weight of 186.38 g/mol, XLogP of 5.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;prop-1-ene;2,2,3,3-tetramethylbutane is sourced from PubChem (CID 153390024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).