methane;prop-1-ene;3,3,4,4-tetramethylpent-1-ene

C13H28 — CID 142214400

IUPACmethane;prop-1-ene;3,3,4,4-tetramethylpent-1-ene
SMILESC.C=CC.C=CC(C)(C)C(C)(C)C
InChIInChI=1S/C9H18.C3H6.CH4/c1-7-9(5,6)8(2,3)4;1-3-2;/h7H,1H2,2-6H3;3H,1H2,2H3;1H4
InChIKeyXAQATNFYHWEVEN-UHFFFAOYSA-N
MW184.37 g/mol
LogP5.07
Rot. Bonds1

About methane;prop-1-ene;3,3,4,4-tetramethylpent-1-ene

methane;prop-1-ene;3,3,4,4-tetramethylpent-1-ene (PubChem CID 142214400) has the molecular formula C13H28 and a molecular weight of 184.37 g/mol. Its IUPAC name is methane;prop-1-ene;3,3,4,4-tetramethylpent-1-ene.

Molecular Properties

Compound Namemethane;prop-1-ene;3,3,4,4-tetramethylpent-1-ene
PubChem CID142214400
Molecular FormulaC13H28
Molecular Weight184.37 g/mol
Exact Mass184.22
IUPAC Namemethane;prop-1-ene;3,3,4,4-tetramethylpent-1-ene
SMILESC.C=CC.C=CC(C)(C)C(C)(C)C
InChIInChI=1S/C9H18.C3H6.CH4/c1-7-9(5,6)8(2,3)4;1-3-2;/h7H,1H2,2-6H3;3H,1H2,2H3;1H4
InChIKeyXAQATNFYHWEVEN-UHFFFAOYSA-N
XLogP5.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500184.37
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methane;prop-1-ene;3,3,4,4-tetramethylpent-1-ene?
The IUPAC name of methane;prop-1-ene;3,3,4,4-tetramethylpent-1-ene (CID 142214400) is methane;prop-1-ene;3,3,4,4-tetramethylpent-1-ene.
What is the SMILES notation for methane;prop-1-ene;3,3,4,4-tetramethylpent-1-ene?
The canonical SMILES for methane;prop-1-ene;3,3,4,4-tetramethylpent-1-ene is C.C=CC.C=CC(C)(C)C(C)(C)C.
What is the InChIKey of methane;prop-1-ene;3,3,4,4-tetramethylpent-1-ene?
The InChIKey is XAQATNFYHWEVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18.C3H6.CH4/c1-7-9(5,6)8(2,3)4;1-3-2;/h7H,1H2,2-6H3;3H,1H2,2H3;1H4.
What are the key properties of methane;prop-1-ene;3,3,4,4-tetramethylpent-1-ene?
methane;prop-1-ene;3,3,4,4-tetramethylpent-1-ene has a molecular weight of 184.37 g/mol, XLogP of 5.07, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;prop-1-ene;3,3,4,4-tetramethylpent-1-ene is sourced from PubChem (CID 142214400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).