4,6,6-trimethylhept-2-ene

C10H20 — CID 91083549

IUPAC4,6,6-trimethylhept-2-ene
SMILESCC=CC(C)CC(C)(C)C
InChIInChI=1S/C10H20/c1-6-7-9(2)8-10(3,4)5/h6-7,9H,8H2,1-5H3
InChIKeyIBUUQXKZHZJCGQ-UHFFFAOYSA-N
MW140.27 g/mol
LogP3.63
Rot. Bonds2

About 4,6,6-trimethylhept-2-ene

4,6,6-trimethylhept-2-ene (PubChem CID 91083549) has the molecular formula C10H20 and a molecular weight of 140.27 g/mol. Its IUPAC name is 4,6,6-trimethylhept-2-ene.

Molecular Properties

Compound Name4,6,6-trimethylhept-2-ene
PubChem CID91083549
Molecular FormulaC10H20
Molecular Weight140.27 g/mol
Exact Mass140.16
IUPAC Name4,6,6-trimethylhept-2-ene
SMILESCC=CC(C)CC(C)(C)C
InChIInChI=1S/C10H20/c1-6-7-9(2)8-10(3,4)5/h6-7,9H,8H2,1-5H3
InChIKeyIBUUQXKZHZJCGQ-UHFFFAOYSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.27
LogP ≤ 53.63
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

(E)-N,N,3,5,5-pentamethylhex-1-en-1-amine
CID 134933360
6-ethyl-4-methyl-6-propylnon-2-ene
CID 123705337
(Z,2S)-2-methylpent-3-en-1-ol
CID 101124729
(E,4R)-5-chloro-4-methylpent-2-ene
CID 163801787
2,4,4-trimethylpentanal;2,2,4-trimethylpentane
CID 172777004
(Z)-4-methylhept-2-ene
CID 5352649
tert-butyl-dimethyl-[(E)-2-methylpent-3-enoxy]silane
CID 121002381
ethane;2,2,4,6,6-pentamethylheptane
CID 142211592
(6E)-3,5-dimethylocta-1,6-diene
CID 5365812
(E)-6-chloro-4,5,5,6-tetramethylhept-2-ene
CID 14367914
4,8-dimethylnona-2,6-diene
CID 54128177
4-methyloct-2-ene
CID 528286

Frequently Asked Questions

What is the IUPAC name of 4,6,6-trimethylhept-2-ene?
The IUPAC name of 4,6,6-trimethylhept-2-ene (CID 91083549) is 4,6,6-trimethylhept-2-ene.
What is the SMILES notation for 4,6,6-trimethylhept-2-ene?
The canonical SMILES for 4,6,6-trimethylhept-2-ene is CC=CC(C)CC(C)(C)C.
What is the InChIKey of 4,6,6-trimethylhept-2-ene?
The InChIKey is IBUUQXKZHZJCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20/c1-6-7-9(2)8-10(3,4)5/h6-7,9H,8H2,1-5H3.
What are the key properties of 4,6,6-trimethylhept-2-ene?
4,6,6-trimethylhept-2-ene has a molecular weight of 140.27 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,6-trimethylhept-2-ene is sourced from PubChem (CID 91083549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).