(3-ethyl-6,6-dimethyl-2H-pyran-3-yl)methanol

C10H18O2 — CID 11401018

IUPAC(3-ethyl-6,6-dimethyl-2H-pyran-3-yl)methanol
SMILESCCC1(CO)C=CC(C)(C)OC1
InChIInChI=1S/C10H18O2/c1-4-10(7-11)6-5-9(2,3)12-8-10/h5-6,11H,4,7-8H2,1-3H3
InChIKeyPRNXVWDSPIRGGV-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.74
Rot. Bonds2

About (3-ethyl-6,6-dimethyl-2H-pyran-3-yl)methanol

(3-ethyl-6,6-dimethyl-2H-pyran-3-yl)methanol (PubChem CID 11401018) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (3-ethyl-6,6-dimethyl-2H-pyran-3-yl)methanol.

Molecular Properties

Compound Name(3-ethyl-6,6-dimethyl-2H-pyran-3-yl)methanol
PubChem CID11401018
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(3-ethyl-6,6-dimethyl-2H-pyran-3-yl)methanol
SMILESCCC1(CO)C=CC(C)(C)OC1
InChIInChI=1S/C10H18O2/c1-4-10(7-11)6-5-9(2,3)12-8-10/h5-6,11H,4,7-8H2,1-3H3
InChIKeyPRNXVWDSPIRGGV-UHFFFAOYSA-N
XLogP1.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.74
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 (3-ethyl-6,6-dimethyl-2H-pyran-3-yl)methanol?
The IUPAC name of (3-ethyl-6,6-dimethyl-2H-pyran-3-yl)methanol (CID 11401018) is (3-ethyl-6,6-dimethyl-2H-pyran-3-yl)methanol.
What is the SMILES notation for (3-ethyl-6,6-dimethyl-2H-pyran-3-yl)methanol?
The canonical SMILES for (3-ethyl-6,6-dimethyl-2H-pyran-3-yl)methanol is CCC1(CO)C=CC(C)(C)OC1.
What is the InChIKey of (3-ethyl-6,6-dimethyl-2H-pyran-3-yl)methanol?
The InChIKey is PRNXVWDSPIRGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-4-10(7-11)6-5-9(2,3)12-8-10/h5-6,11H,4,7-8H2,1-3H3.
What are the key properties of (3-ethyl-6,6-dimethyl-2H-pyran-3-yl)methanol?
(3-ethyl-6,6-dimethyl-2H-pyran-3-yl)methanol has a molecular weight of 170.25 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-6,6-dimethyl-2H-pyran-3-yl)methanol is sourced from PubChem (CID 11401018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).