(4R,6S)-2,4,6,7-tetramethyloct-2-ene

C12H24 — CID 59787440

IUPAC(4R,6S)-2,4,6,7-tetramethyloct-2-ene
SMILESCC(C)=C[C@H](C)C[C@H](C)C(C)C
InChIInChI=1S/C12H24/c1-9(2)7-11(5)8-12(6)10(3)4/h7,10-12H,8H2,1-6H3/t11-,12-/m0/s1
InChIKeyJVPDBOOJOGRDQQ-RYUDHWBXSA-N
MW168.32 g/mol
LogP4.27
Rot. Bonds4

About (4R,6S)-2,4,6,7-tetramethyloct-2-ene

(4R,6S)-2,4,6,7-tetramethyloct-2-ene (PubChem CID 59787440) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is (4R,6S)-2,4,6,7-tetramethyloct-2-ene.

Molecular Properties

Compound Name(4R,6S)-2,4,6,7-tetramethyloct-2-ene
PubChem CID59787440
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name(4R,6S)-2,4,6,7-tetramethyloct-2-ene
SMILESCC(C)=C[C@H](C)C[C@H](C)C(C)C
InChIInChI=1S/C12H24/c1-9(2)7-11(5)8-12(6)10(3)4/h7,10-12H,8H2,1-6H3/t11-,12-/m0/s1
InChIKeyJVPDBOOJOGRDQQ-RYUDHWBXSA-N
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.27
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

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CID 558039
(4R)-2,4-dimethylhex-2-ene
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CID 86260523
2,4,5-trimethylhexanal
CID 21437617
(3R,5R)-2,3,5,6-tetramethylheptane
CID 102426642
2,4-dimethylpent-2-ene;lutetium;2,4,7,9-tetramethyldeca-2,8-diene
CID 57404171
(8Z)-2,4,6-trimethyl-7-methylidenedeca-2,8-diene
CID 177061133
(2E,4R,6S)-4,6,8-trimethylnona-2,7-dienoyl chloride
CID 10910907
(2S,4R)-4,5-dimethylhexan-2-ol
CID 124507308
(2R,4S)-4,5-dimethylhexan-2-ol
CID 124507307
2,3-dimethylbutan-1-ol;2-methylbut-2-ene
CID 159485541
2,6-dimethylocta-2,7-dien-4-ol
CID 15596211

Frequently Asked Questions

What is the IUPAC name of (4R,6S)-2,4,6,7-tetramethyloct-2-ene?
The IUPAC name of (4R,6S)-2,4,6,7-tetramethyloct-2-ene (CID 59787440) is (4R,6S)-2,4,6,7-tetramethyloct-2-ene.
What is the SMILES notation for (4R,6S)-2,4,6,7-tetramethyloct-2-ene?
The canonical SMILES for (4R,6S)-2,4,6,7-tetramethyloct-2-ene is CC(C)=C[C@H](C)C[C@H](C)C(C)C.
What is the InChIKey of (4R,6S)-2,4,6,7-tetramethyloct-2-ene?
The InChIKey is JVPDBOOJOGRDQQ-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H24/c1-9(2)7-11(5)8-12(6)10(3)4/h7,10-12H,8H2,1-6H3/t11-,12-/m0/s1.
What are the key properties of (4R,6S)-2,4,6,7-tetramethyloct-2-ene?
(4R,6S)-2,4,6,7-tetramethyloct-2-ene has a molecular weight of 168.32 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S)-2,4,6,7-tetramethyloct-2-ene is sourced from PubChem (CID 59787440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).