(2R,3R,6R)-2,3,6-trimethyl-6-(4-methylpent-3-enyl)-2,3-dihydropyran;(2R,3R,6S)-2,3,6-trimethyl-6-(4-methylpent-3-enyl)-2,3-dihydropyran

C28H48O2 — CID 161259407

IUPAC(2R,3R,6R)-2,3,6-trimethyl-6-(4-methylpent-3-enyl)-2,3-dihydropyran;(2R,3R,6S)-2,3,6-trimethyl-6-(4-methylpent-3-enyl)-2,3-dihydropyran
SMILESCC(C)=CCC[C@@]1(C)C=C[C@@H](C)[C@@H](C)O1.CC(C)=CCC[C@]1(C)C=C[C@@H](C)[C@@H](C)O1
InChIInChI=1S/2C14H24O/c2*1-11(2)7-6-9-14(5)10-8-12(3)13(4)15-14/h2*7-8,10,12-13H,6,9H2,1-5H3/t12-,13-,14+;12-,13-,14-/m11/s1
InChIKeyVCIWUXXSYFTVCW-GDRLAVGMSA-N
MW416.69 g/mol
LogP8.20
Rot. Bonds6

About (2R,3R,6R)-2,3,6-trimethyl-6-(4-methylpent-3-enyl)-2,3-dihydropyran;(2R,3R,6S)-2,3,6-trimethyl-6-(4-methylpent-3-enyl)-2,3-dihydropyran

(2R,3R,6R)-2,3,6-trimethyl-6-(4-methylpent-3-enyl)-2,3-dihydropyran;(2R,3R,6S)-2,3,6-trimethyl-6-(4-methylpent-3-enyl)-2,3-dihydropyran (PubChem CID 161259407) has the molecular formula C28H48O2 and a molecular weight of 416.69 g/mol. Its IUPAC name is (2R,3R,6R)-2,3,6-trimethyl-6-(4-methylpent-3-enyl)-2,3-dihydropyran;(2R,3R,6S)-2,3,6-trimethyl-6-(4-methylpent-3-enyl)-2,3-dihydropyran.

Molecular Properties

Compound Name(2R,3R,6R)-2,3,6-trimethyl-6-(4-methylpent-3-enyl)-2,3-dihydropyran;(2R,3R,6S)-2,3,6-trimethyl-6-(4-methylpent-3-enyl)-2,3-dihydropyran
PubChem CID161259407
Molecular FormulaC28H48O2
Molecular Weight416.69 g/mol
Exact Mass416.37
IUPAC Name(2R,3R,6R)-2,3,6-trimethyl-6-(4-methylpent-3-enyl)-2,3-dihydropyran;(2R,3R,6S)-2,3,6-trimethyl-6-(4-methylpent-3-enyl)-2,3-dihydropyran
SMILESCC(C)=CCC[C@@]1(C)C=C[C@@H](C)[C@@H](C)O1.CC(C)=CCC[C@]1(C)C=C[C@@H](C)[C@@H](C)O1
InChIInChI=1S/2C14H24O/c2*1-11(2)7-6-9-14(5)10-8-12(3)13(4)15-14/h2*7-8,10,12-13H,6,9H2,1-5H3/t12-,13-,14+;12-,13-,14-/m11/s1
InChIKeyVCIWUXXSYFTVCW-GDRLAVGMSA-N
XLogP8.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.69
LogP ≤ 58.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2R,3R,6R)-2,3,6-trimethyl-6-(4-methylpent-3-enyl)-2,3-dihydropyran;(2R,3R,6S)-2,3,6-trimethyl-6-(4-methylpent-3-enyl)-2,3-dihydropyran with MolForge

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Related Compounds

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5-methyl-5-(4-methylpent-3-enyl)-2,3-dihydro-1,4-dioxepine
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(2R,3S)-3-[(Z)-but-1-enyl]-2-methyl-2-(4-methylpent-3-enyl)oxirane
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(1S,5R)-6-methyl-6-(4-methylpent-3-enyl)-3-oxabicyclo[3.1.0]hexane
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[(1R,4R,5S)-5-methyl-1-(4-methylpent-3-enyl)-2-oxabicyclo[2.2.2]octan-4-yl]methanol
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(2R)-2,7-dimethyl-2-(4-methylpent-3-enyl)chromen-6-ol
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Frequently Asked Questions

What is the IUPAC name of (2R,3R,6R)-2,3,6-trimethyl-6-(4-methylpent-3-enyl)-2,3-dihydropyran;(2R,3R,6S)-2,3,6-trimethyl-6-(4-methylpent-3-enyl)-2,3-dihydropyran?
The IUPAC name of (2R,3R,6R)-2,3,6-trimethyl-6-(4-methylpent-3-enyl)-2,3-dihydropyran;(2R,3R,6S)-2,3,6-trimethyl-6-(4-methylpent-3-enyl)-2,3-dihydropyran (CID 161259407) is (2R,3R,6R)-2,3,6-trimethyl-6-(4-methylpent-3-enyl)-2,3-dihydropyran;(2R,3R,6S)-2,3,6-trimethyl-6-(4-methylpent-3-enyl)-2,3-dihydropyran.
What is the SMILES notation for (2R,3R,6R)-2,3,6-trimethyl-6-(4-methylpent-3-enyl)-2,3-dihydropyran;(2R,3R,6S)-2,3,6-trimethyl-6-(4-methylpent-3-enyl)-2,3-dihydropyran?
The canonical SMILES for (2R,3R,6R)-2,3,6-trimethyl-6-(4-methylpent-3-enyl)-2,3-dihydropyran;(2R,3R,6S)-2,3,6-trimethyl-6-(4-methylpent-3-enyl)-2,3-dihydropyran is CC(C)=CCC[C@@]1(C)C=C[C@@H](C)[C@@H](C)O1.CC(C)=CCC[C@]1(C)C=C[C@@H](C)[C@@H](C)O1.
What is the InChIKey of (2R,3R,6R)-2,3,6-trimethyl-6-(4-methylpent-3-enyl)-2,3-dihydropyran;(2R,3R,6S)-2,3,6-trimethyl-6-(4-methylpent-3-enyl)-2,3-dihydropyran?
The InChIKey is VCIWUXXSYFTVCW-GDRLAVGMSA-N. The full InChI is InChI=1S/2C14H24O/c2*1-11(2)7-6-9-14(5)10-8-12(3)13(4)15-14/h2*7-8,10,12-13H,6,9H2,1-5H3/t12-,13-,14+;12-,13-,14-/m11/s1.
What are the key properties of (2R,3R,6R)-2,3,6-trimethyl-6-(4-methylpent-3-enyl)-2,3-dihydropyran;(2R,3R,6S)-2,3,6-trimethyl-6-(4-methylpent-3-enyl)-2,3-dihydropyran?
(2R,3R,6R)-2,3,6-trimethyl-6-(4-methylpent-3-enyl)-2,3-dihydropyran;(2R,3R,6S)-2,3,6-trimethyl-6-(4-methylpent-3-enyl)-2,3-dihydropyran has a molecular weight of 416.69 g/mol, XLogP of 8.20, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,6R)-2,3,6-trimethyl-6-(4-methylpent-3-enyl)-2,3-dihydropyran;(2R,3R,6S)-2,3,6-trimethyl-6-(4-methylpent-3-enyl)-2,3-dihydropyran is sourced from PubChem (CID 161259407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).