5,5-diethyl-6,6,7-trimethyloct-2-ene

C15H30 — CID 123620365

IUPAC5,5-diethyl-6,6,7-trimethyloct-2-ene
SMILESCC=CCC(CC)(CC)C(C)(C)C(C)C
InChIInChI=1S/C15H30/c1-8-11-12-15(9-2,10-3)14(6,7)13(4)5/h8,11,13H,9-10,12H2,1-7H3
InChIKeyZIXHDIXYYCBKJD-UHFFFAOYSA-N
MW210.41 g/mol
LogP5.44
Rot. Bonds6

About 5,5-diethyl-6,6,7-trimethyloct-2-ene

5,5-diethyl-6,6,7-trimethyloct-2-ene (PubChem CID 123620365) has the molecular formula C15H30 and a molecular weight of 210.41 g/mol. Its IUPAC name is 5,5-diethyl-6,6,7-trimethyloct-2-ene.

Molecular Properties

Compound Name5,5-diethyl-6,6,7-trimethyloct-2-ene
PubChem CID123620365
Molecular FormulaC15H30
Molecular Weight210.41 g/mol
Exact Mass210.23
IUPAC Name5,5-diethyl-6,6,7-trimethyloct-2-ene
SMILESCC=CCC(CC)(CC)C(C)(C)C(C)C
InChIInChI=1S/C15H30/c1-8-11-12-15(9-2,10-3)14(6,7)13(4)5/h8,11,13H,9-10,12H2,1-7H3
InChIKeyZIXHDIXYYCBKJD-UHFFFAOYSA-N
XLogP5.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.41
LogP ≤ 55.44
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

2-methylhex-4-en-2-yl-di(propan-2-yl)phosphane
CID 158867140
5-ethyl-5,7,7-trimethylnon-2-ene
CID 123630849
(Z)-5-fluoro-5-(fluoromethyl)-6-methylhept-2-ene
CID 170070049
2-ethyl-2-methylhex-4-enoic acid
CID 123449987
3-[[(E)-but-2-enyl]amino]-2-methylbutan-2-ol
CID 131248330
(E)-3-(aminomethyl)-3-methylhept-5-en-2-ol
CID 130514852
(Z)-4,4-diethyl-5-methylhex-2-ene
CID 59911296
7,7,8-trimethylnon-2-ene
CID 54129558
N-[(E)-but-2-enyl]-3-ethylpentan-2-amine
CID 104578151
2-methylhex-4-en-2-yloxysilane
CID 175079784
dimethyl-[(Z)-4,4,5-trimethylhex-1-enyl]phosphane
CID 175621470
2,2,6-trimethyloct-4-ene
CID 91281227

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-6,6,7-trimethyloct-2-ene?
The IUPAC name of 5,5-diethyl-6,6,7-trimethyloct-2-ene (CID 123620365) is 5,5-diethyl-6,6,7-trimethyloct-2-ene.
What is the SMILES notation for 5,5-diethyl-6,6,7-trimethyloct-2-ene?
The canonical SMILES for 5,5-diethyl-6,6,7-trimethyloct-2-ene is CC=CCC(CC)(CC)C(C)(C)C(C)C.
What is the InChIKey of 5,5-diethyl-6,6,7-trimethyloct-2-ene?
The InChIKey is ZIXHDIXYYCBKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30/c1-8-11-12-15(9-2,10-3)14(6,7)13(4)5/h8,11,13H,9-10,12H2,1-7H3.
What are the key properties of 5,5-diethyl-6,6,7-trimethyloct-2-ene?
5,5-diethyl-6,6,7-trimethyloct-2-ene has a molecular weight of 210.41 g/mol, XLogP of 5.44, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-6,6,7-trimethyloct-2-ene is sourced from PubChem (CID 123620365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).