4-ethyl-4-methylheptane;2-methylprop-1-ene

C14H30 — CID 170590523

IUPAC4-ethyl-4-methylheptane;2-methylprop-1-ene
SMILESC=C(C)C.CCCC(C)(CC)CCC
InChIInChI=1S/C10H22.C4H8/c1-5-8-10(4,7-3)9-6-2;1-4(2)3/h5-9H2,1-4H3;1H2,2-3H3
InChIKeyIEBOKXJFQFSHDF-UHFFFAOYSA-N
MW198.39 g/mol
LogP5.59
Rot. Bonds5

About 4-ethyl-4-methylheptane;2-methylprop-1-ene

4-ethyl-4-methylheptane;2-methylprop-1-ene (PubChem CID 170590523) has the molecular formula C14H30 and a molecular weight of 198.39 g/mol. Its IUPAC name is 4-ethyl-4-methylheptane;2-methylprop-1-ene.

Molecular Properties

Compound Name4-ethyl-4-methylheptane;2-methylprop-1-ene
PubChem CID170590523
Molecular FormulaC14H30
Molecular Weight198.39 g/mol
Exact Mass198.23
IUPAC Name4-ethyl-4-methylheptane;2-methylprop-1-ene
SMILESC=C(C)C.CCCC(C)(CC)CCC
InChIInChI=1S/C10H22.C4H8/c1-5-8-10(4,7-3)9-6-2;1-4(2)3/h5-9H2,1-4H3;1H2,2-3H3
InChIKeyIEBOKXJFQFSHDF-UHFFFAOYSA-N
XLogP5.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500198.39
LogP ≤ 55.59
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

4-ethyl-4-methyloctane;propane
CID 176660925
N-(3-ethyl-3-methylhexyl)methanimine
CID 174298399
2,4-dimethylpenta-1,3-diene;ethane;4-ethyl-4-methylheptane;2-methylbut-1-ene;pentane
CID 170590638
ethane;4-ethyl-4-methylnonane
CID 164538733
3-(iodomethyl)-3-methylhexane
CID 121290697
N,3-diethyl-3-methylhexan-1-amine
CID 163633802
3-ethyl-3-methylpentane;methanol
CID 143799596
butane;ethane;2-methylprop-1-ene
CID 142168819
2-chloro-4-(chloromethyl)-4-methylhept-1-ene
CID 165443138
4-ethyl-4-methyloctane;isocyanic acid
CID 87136372
4-ethyl-2-methyl-4-propylhept-1-ene
CID 123745566
bis(2-methylprop-1-ene);propane
CID 159493997

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-methylheptane;2-methylprop-1-ene?
The IUPAC name of 4-ethyl-4-methylheptane;2-methylprop-1-ene (CID 170590523) is 4-ethyl-4-methylheptane;2-methylprop-1-ene.
What is the SMILES notation for 4-ethyl-4-methylheptane;2-methylprop-1-ene?
The canonical SMILES for 4-ethyl-4-methylheptane;2-methylprop-1-ene is C=C(C)C.CCCC(C)(CC)CCC.
What is the InChIKey of 4-ethyl-4-methylheptane;2-methylprop-1-ene?
The InChIKey is IEBOKXJFQFSHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22.C4H8/c1-5-8-10(4,7-3)9-6-2;1-4(2)3/h5-9H2,1-4H3;1H2,2-3H3.
What are the key properties of 4-ethyl-4-methylheptane;2-methylprop-1-ene?
4-ethyl-4-methylheptane;2-methylprop-1-ene has a molecular weight of 198.39 g/mol, XLogP of 5.59, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-methylheptane;2-methylprop-1-ene is sourced from PubChem (CID 170590523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).