(4R)-2,4-dimethylhex-2-ene

C8H16 — CID 142611901

IUPAC(4R)-2,4-dimethylhex-2-ene
SMILESCC[C@@H](C)C=C(C)C
InChIInChI=1S/C8H16/c1-5-8(4)6-7(2)3/h6,8H,5H2,1-4H3/t8-/m1/s1
InChIKeyIZSBIPQYBGDXJZ-MRVPVSSYSA-N
MW112.22 g/mol
LogP3.00
Rot. Bonds2

About (4R)-2,4-dimethylhex-2-ene

(4R)-2,4-dimethylhex-2-ene (PubChem CID 142611901) has the molecular formula C8H16 and a molecular weight of 112.22 g/mol. Its IUPAC name is (4R)-2,4-dimethylhex-2-ene.

Molecular Properties

Compound Name(4R)-2,4-dimethylhex-2-ene
PubChem CID142611901
Molecular FormulaC8H16
Molecular Weight112.22 g/mol
Exact Mass112.13
IUPAC Name(4R)-2,4-dimethylhex-2-ene
SMILESCC[C@@H](C)C=C(C)C
InChIInChI=1S/C8H16/c1-5-8(4)6-7(2)3/h6,8H,5H2,1-4H3/t8-/m1/s1
InChIKeyIZSBIPQYBGDXJZ-MRVPVSSYSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.22
LogP ≤ 53.00
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,5S)-3,5-dimethylhept-3-ene
CID 25021557
2,4,6-trimethylhept-2-ene
CID 558039
(E)-4-methyl-N-propan-2-ylhex-2-en-2-amine
CID 166949903
(4S)-4-ethyl-2,5-dimethylhex-2-ene
CID 59076460
2,4-dimethyldec-2-ene
CID 522542
N-[(E)-4-methylhex-2-en-2-yl]ethanimine
CID 90864591
(4R,6S)-2,4,6,7-tetramethyloct-2-ene
CID 59787440
2,4-dimethylpent-2-ene;lutetium;2,4,7,9-tetramethyldeca-2,8-diene
CID 57404171
(2Z)-N,4,6-trimethylocta-2,4-dien-3-amine
CID 166865760
(2E,4Z)-2,4,6-trimethylocta-2,4-dien-1-ol
CID 101448778
3-(chloromethyl)-2,5-dimethylhept-3-ene
CID 115278020
2-methylbutane;bis(2-methylbut-2-ene)
CID 162288148

Frequently Asked Questions

What is the IUPAC name of (4R)-2,4-dimethylhex-2-ene?
The IUPAC name of (4R)-2,4-dimethylhex-2-ene (CID 142611901) is (4R)-2,4-dimethylhex-2-ene.
What is the SMILES notation for (4R)-2,4-dimethylhex-2-ene?
The canonical SMILES for (4R)-2,4-dimethylhex-2-ene is CC[C@@H](C)C=C(C)C.
What is the InChIKey of (4R)-2,4-dimethylhex-2-ene?
The InChIKey is IZSBIPQYBGDXJZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H16/c1-5-8(4)6-7(2)3/h6,8H,5H2,1-4H3/t8-/m1/s1.
What are the key properties of (4R)-2,4-dimethylhex-2-ene?
(4R)-2,4-dimethylhex-2-ene has a molecular weight of 112.22 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2,4-dimethylhex-2-ene is sourced from PubChem (CID 142611901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).