1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-3-methylbutan-1-ol

C12H22O3 — CID 102654880

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-3-methylbutan-1-ol
SMILESCCOC(C(C)C)C(O)C1=CCCCO1
InChIInChI=1S/C12H22O3/c1-4-14-12(9(2)3)11(13)10-7-5-6-8-15-10/h7,9,11-13H,4-6,8H2,1-3H3
InChIKeyBNEYSUYEOZCOHD-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.10
Rot. Bonds5

About 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-3-methylbutan-1-ol

1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-3-methylbutan-1-ol (PubChem CID 102654880) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-3-methylbutan-1-ol.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-3-methylbutan-1-ol
PubChem CID102654880
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-3-methylbutan-1-ol
SMILESCCOC(C(C)C)C(O)C1=CCCCO1
InChIInChI=1S/C12H22O3/c1-4-14-12(9(2)3)11(13)10-7-5-6-8-15-10/h7,9,11-13H,4-6,8H2,1-3H3
InChIKeyBNEYSUYEOZCOHD-UHFFFAOYSA-N
XLogP2.10
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxybutan-1-ol
CID 102654872
1-(3,4-dihydro-2H-pyran-6-yl)-3-methylbutane-1,2-diol
CID 103456632
1-(2,3-dihydrofuran-5-yl)-2-methoxy-3-methylbutan-1-ol
CID 102654877
2-(aminomethyl)-1-(3,4-dihydro-2H-pyran-6-yl)-3-methylbutan-1-ol
CID 107443210
1-(3,4-dihydro-2H-pyran-6-yl)-2,2-diethoxyethanamine
CID 102647793
1-(3,4-dihydro-2H-pyran-6-yl)-3-methyl-2-phenylpentan-1-ol
CID 102649655
1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-N,3,3-trimethylbutan-1-amine
CID 102648088
1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-N-ethylbutan-1-amine
CID 102648061
1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxypentan-1-amine
CID 102648063
1-(3,4-dihydro-2H-pyran-6-yl)nonan-1-ol
CID 102649817
1-(3,4-dihydro-2H-pyran-6-yl)octan-1-ol
CID 102646548
1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-3,3-dimethylbutan-1-one
CID 102647045

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-3-methylbutan-1-ol?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-3-methylbutan-1-ol (CID 102654880) is 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-3-methylbutan-1-ol.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-3-methylbutan-1-ol?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-3-methylbutan-1-ol is CCOC(C(C)C)C(O)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-3-methylbutan-1-ol?
The InChIKey is BNEYSUYEOZCOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-4-14-12(9(2)3)11(13)10-7-5-6-8-15-10/h7,9,11-13H,4-6,8H2,1-3H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-3-methylbutan-1-ol?
1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-3-methylbutan-1-ol has a molecular weight of 214.30 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 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)-2-ethoxy-3-methylbutan-1-ol is sourced from PubChem (CID 102654880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).