3-(3,4-dihydro-2H-pyran-6-yl)-2-methylpentan-3-ol

C11H20O2 — CID 102646420

IUPAC3-(3,4-dihydro-2H-pyran-6-yl)-2-methylpentan-3-ol
SMILESCCC(O)(C1=CCCCO1)C(C)C
InChIInChI=1S/C11H20O2/c1-4-11(12,9(2)3)10-7-5-6-8-13-10/h7,9,12H,4-6,8H2,1-3H3
InChIKeyHOHRRFLSAWHPMY-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.48
Rot. Bonds3

About 3-(3,4-dihydro-2H-pyran-6-yl)-2-methylpentan-3-ol

3-(3,4-dihydro-2H-pyran-6-yl)-2-methylpentan-3-ol (PubChem CID 102646420) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-pyran-6-yl)-2-methylpentan-3-ol.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-pyran-6-yl)-2-methylpentan-3-ol
PubChem CID102646420
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name3-(3,4-dihydro-2H-pyran-6-yl)-2-methylpentan-3-ol
SMILESCCC(O)(C1=CCCCO1)C(C)C
InChIInChI=1S/C11H20O2/c1-4-11(12,9(2)3)10-7-5-6-8-13-10/h7,9,12H,4-6,8H2,1-3H3
InChIKeyHOHRRFLSAWHPMY-UHFFFAOYSA-N
XLogP2.48
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-pyran-6-yl)-2-methylpentan-3-ol?
The IUPAC name of 3-(3,4-dihydro-2H-pyran-6-yl)-2-methylpentan-3-ol (CID 102646420) is 3-(3,4-dihydro-2H-pyran-6-yl)-2-methylpentan-3-ol.
What is the SMILES notation for 3-(3,4-dihydro-2H-pyran-6-yl)-2-methylpentan-3-ol?
The canonical SMILES for 3-(3,4-dihydro-2H-pyran-6-yl)-2-methylpentan-3-ol is CCC(O)(C1=CCCCO1)C(C)C.
What is the InChIKey of 3-(3,4-dihydro-2H-pyran-6-yl)-2-methylpentan-3-ol?
The InChIKey is HOHRRFLSAWHPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-11(12,9(2)3)10-7-5-6-8-13-10/h7,9,12H,4-6,8H2,1-3H3.
What are the key properties of 3-(3,4-dihydro-2H-pyran-6-yl)-2-methylpentan-3-ol?
3-(3,4-dihydro-2H-pyran-6-yl)-2-methylpentan-3-ol has a molecular weight of 184.28 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-pyran-6-yl)-2-methylpentan-3-ol is sourced from PubChem (CID 102646420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).