1-(3,4-dihydro-2H-pyran-6-yl)-3-methylbutane-1,2-diol

C10H18O3 — CID 103456632

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-3-methylbutane-1,2-diol
SMILESCC(C)C(O)C(O)C1=CCCCO1
InChIInChI=1S/C10H18O3/c1-7(2)9(11)10(12)8-5-3-4-6-13-8/h5,7,9-12H,3-4,6H2,1-2H3
InChIKeyYWHWTUVBYNTZIF-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.06
Rot. Bonds3

About 1-(3,4-dihydro-2H-pyran-6-yl)-3-methylbutane-1,2-diol

1-(3,4-dihydro-2H-pyran-6-yl)-3-methylbutane-1,2-diol (PubChem CID 103456632) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-3-methylbutane-1,2-diol.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-3-methylbutane-1,2-diol
PubChem CID103456632
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-3-methylbutane-1,2-diol
SMILESCC(C)C(O)C(O)C1=CCCCO1
InChIInChI=1S/C10H18O3/c1-7(2)9(11)10(12)8-5-3-4-6-13-8/h5,7,9-12H,3-4,6H2,1-2H3
InChIKeyYWHWTUVBYNTZIF-UHFFFAOYSA-N
XLogP1.06
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-1-(3,4-dihydro-2H-pyran-6-yl)-3-methylbutan-1-ol
CID 107443210
1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-3-methylbutan-1-ol
CID 102654880
1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxybutan-1-ol
CID 102654872
3,4-dihydro-2H-pyran-6-yl-(1-methylcyclopropyl)methanol
CID 102654803
(E)-1-(3,4-dihydro-2H-pyran-6-yl)but-2-en-1-ol
CID 130123097
1-(3,4-dihydro-2H-pyran-6-yl)-3-methyl-2-phenylpentan-1-ol
CID 102649655
(4-tert-butylphenyl)-(3,4-dihydro-2H-pyran-6-yl)methanol
CID 102646462
(1S)-1-(3,4-dihydro-2H-pyran-6-yl)-2,2,2-trifluoroethanol
CID 102654858
6-[1-(4-methylphenyl)ethyl]-3,4-dihydro-2H-pyran
CID 24744561
1-(2,3-dihydrofuran-5-yl)-2-methoxy-3-methylbutan-1-ol
CID 102654877
1-(3,4-dihydro-2H-pyran-6-yl)octan-1-ol
CID 102646548
1-(3,4-dihydro-2H-pyran-6-yl)nonan-1-ol
CID 102649817

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-3-methylbutane-1,2-diol?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-3-methylbutane-1,2-diol (CID 103456632) is 1-(3,4-dihydro-2H-pyran-6-yl)-3-methylbutane-1,2-diol.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-3-methylbutane-1,2-diol?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-3-methylbutane-1,2-diol is CC(C)C(O)C(O)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-3-methylbutane-1,2-diol?
The InChIKey is YWHWTUVBYNTZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-7(2)9(11)10(12)8-5-3-4-6-13-8/h5,7,9-12H,3-4,6H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-3-methylbutane-1,2-diol?
1-(3,4-dihydro-2H-pyran-6-yl)-3-methylbutane-1,2-diol has a molecular weight of 186.25 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-6-yl)-3-methylbutane-1,2-diol is sourced from PubChem (CID 103456632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).