2-methyl-1-[(2S,6S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran-6-yl]but-3-en-2-ol

C15H24O2 — CID 6429172

IUPAC2-methyl-1-[(2S,6S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran-6-yl]but-3-en-2-ol
SMILESC=CC(C)(O)C[C@H]1C=C(C)C[C@@H](C=C(C)C)O1
InChIInChI=1S/C15H24O2/c1-6-15(5,16)10-14-9-12(4)8-13(17-14)7-11(2)3/h6-7,9,13-14,16H,1,8,10H2,2-5H3/t13-,14-,15?/m1/s1
InChIKeyNNCJOVBGLCRHAN-GRKKQISMSA-N
MW236.35 g/mol
LogP3.38
Rot. Bonds4

About 2-methyl-1-[(2S,6S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran-6-yl]but-3-en-2-ol

2-methyl-1-[(2S,6S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran-6-yl]but-3-en-2-ol (PubChem CID 6429172) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 2-methyl-1-[(2S,6S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran-6-yl]but-3-en-2-ol.

Molecular Properties

Compound Name2-methyl-1-[(2S,6S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran-6-yl]but-3-en-2-ol
PubChem CID6429172
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name2-methyl-1-[(2S,6S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran-6-yl]but-3-en-2-ol
SMILESC=CC(C)(O)C[C@H]1C=C(C)C[C@@H](C=C(C)C)O1
InChIInChI=1S/C15H24O2/c1-6-15(5,16)10-14-9-12(4)8-13(17-14)7-11(2)3/h6-7,9,13-14,16H,1,8,10H2,2-5H3/t13-,14-,15?/m1/s1
InChIKeyNNCJOVBGLCRHAN-GRKKQISMSA-N
XLogP3.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(2S,6S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran-6-yl]but-3-en-2-ol?
The IUPAC name of 2-methyl-1-[(2S,6S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran-6-yl]but-3-en-2-ol (CID 6429172) is 2-methyl-1-[(2S,6S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran-6-yl]but-3-en-2-ol.
What is the SMILES notation for 2-methyl-1-[(2S,6S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran-6-yl]but-3-en-2-ol?
The canonical SMILES for 2-methyl-1-[(2S,6S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran-6-yl]but-3-en-2-ol is C=CC(C)(O)C[C@H]1C=C(C)C[C@@H](C=C(C)C)O1.
What is the InChIKey of 2-methyl-1-[(2S,6S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran-6-yl]but-3-en-2-ol?
The InChIKey is NNCJOVBGLCRHAN-GRKKQISMSA-N. The full InChI is InChI=1S/C15H24O2/c1-6-15(5,16)10-14-9-12(4)8-13(17-14)7-11(2)3/h6-7,9,13-14,16H,1,8,10H2,2-5H3/t13-,14-,15?/m1/s1.
What are the key properties of 2-methyl-1-[(2S,6S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran-6-yl]but-3-en-2-ol?
2-methyl-1-[(2S,6S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran-6-yl]but-3-en-2-ol has a molecular weight of 236.35 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(2S,6S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran-6-yl]but-3-en-2-ol is sourced from PubChem (CID 6429172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).