(1S)-1-[(6S)-2-methoxy-6-methyl-3,6-dihydro-2H-pyran-5-yl]ethanol

C9H16O3 — CID 23726589

IUPAC(1S)-1-[(6S)-2-methoxy-6-methyl-3,6-dihydro-2H-pyran-5-yl]ethanol
SMILESCOC1CC=C([C@H](C)O)[C@H](C)O1
InChIInChI=1S/C9H16O3/c1-6(10)8-4-5-9(11-3)12-7(8)2/h4,6-7,9-10H,5H2,1-3H3/t6-,7-,9?/m0/s1
InChIKeyQMWKIBSFCZCDMF-ASLNEKEESA-N
MW172.22 g/mol
LogP1.07
Rot. Bonds2

About (1S)-1-[(6S)-2-methoxy-6-methyl-3,6-dihydro-2H-pyran-5-yl]ethanol

(1S)-1-[(6S)-2-methoxy-6-methyl-3,6-dihydro-2H-pyran-5-yl]ethanol (PubChem CID 23726589) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is (1S)-1-[(6S)-2-methoxy-6-methyl-3,6-dihydro-2H-pyran-5-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[(6S)-2-methoxy-6-methyl-3,6-dihydro-2H-pyran-5-yl]ethanol
PubChem CID23726589
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name(1S)-1-[(6S)-2-methoxy-6-methyl-3,6-dihydro-2H-pyran-5-yl]ethanol
SMILESCOC1CC=C([C@H](C)O)[C@H](C)O1
InChIInChI=1S/C9H16O3/c1-6(10)8-4-5-9(11-3)12-7(8)2/h4,6-7,9-10H,5H2,1-3H3/t6-,7-,9?/m0/s1
InChIKeyQMWKIBSFCZCDMF-ASLNEKEESA-N
XLogP1.07
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(1-hydroxyethyl)cyclopent-3-ene-1,2-diol
CID 130129778
3-(1-hydroxyethyl)-2-methyl-2,5-dihydropyran-6-one
CID 74109572
1-(4-ethoxy-6-methylcyclohexen-1-yl)ethanol
CID 14250322
(2R)-6-methoxy-2-methyloxan-3-ol
CID 145387170
(2S,6R)-2,6-dimethoxy-5-phenyl-3,6-dihydro-2H-pyran
CID 102378415
6-methoxy-2-methyloxan-3-one
CID 13011795
1-[(2R)-3-hydroxy-5-methoxyoxolan-2-yl]ethane-1,2-diol
CID 89270965
1-[(2R,3S,5R)-3-hydroxy-5-methoxyoxolan-2-yl]ethane-1,2-diol
CID 89365371
(2S,4R,6R)-4-hydroxy-6-methoxy-2,4-dimethyloxan-3-one
CID 143150247
(5R)-2-methoxy-5-methyloxolane
CID 70228275
(2R,3R,5R)-5-methoxy-2-[(1R)-1-methoxyethyl]oxolan-3-ol
CID 15927279
(2R,4S,6S)-4,6-dimethoxy-2-methyloxan-3-one
CID 130909521

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(6S)-2-methoxy-6-methyl-3,6-dihydro-2H-pyran-5-yl]ethanol?
The IUPAC name of (1S)-1-[(6S)-2-methoxy-6-methyl-3,6-dihydro-2H-pyran-5-yl]ethanol (CID 23726589) is (1S)-1-[(6S)-2-methoxy-6-methyl-3,6-dihydro-2H-pyran-5-yl]ethanol.
What is the SMILES notation for (1S)-1-[(6S)-2-methoxy-6-methyl-3,6-dihydro-2H-pyran-5-yl]ethanol?
The canonical SMILES for (1S)-1-[(6S)-2-methoxy-6-methyl-3,6-dihydro-2H-pyran-5-yl]ethanol is COC1CC=C([C@H](C)O)[C@H](C)O1.
What is the InChIKey of (1S)-1-[(6S)-2-methoxy-6-methyl-3,6-dihydro-2H-pyran-5-yl]ethanol?
The InChIKey is QMWKIBSFCZCDMF-ASLNEKEESA-N. The full InChI is InChI=1S/C9H16O3/c1-6(10)8-4-5-9(11-3)12-7(8)2/h4,6-7,9-10H,5H2,1-3H3/t6-,7-,9?/m0/s1.
What are the key properties of (1S)-1-[(6S)-2-methoxy-6-methyl-3,6-dihydro-2H-pyran-5-yl]ethanol?
(1S)-1-[(6S)-2-methoxy-6-methyl-3,6-dihydro-2H-pyran-5-yl]ethanol has a molecular weight of 172.22 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(6S)-2-methoxy-6-methyl-3,6-dihydro-2H-pyran-5-yl]ethanol is sourced from PubChem (CID 23726589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).