(4R)-6-ethynyl-4-(methoxymethyl)-4-methyl-2,3-dihydrochromene

C14H16O2 — CID 129385365

IUPAC(4R)-6-ethynyl-4-(methoxymethyl)-4-methyl-2,3-dihydrochromene
SMILESC#Cc1ccc2c(c1)[C@](C)(COC)CCO2
InChIInChI=1S/C14H16O2/c1-4-11-5-6-13-12(9-11)14(2,10-15-3)7-8-16-13/h1,5-6,9H,7-8,10H2,2-3H3/t14-/m0/s1
InChIKeyWYOZOOHMOLFSDJ-AWEZNQCLSA-N
MW216.28 g/mol
LogP2.35
Rot. Bonds2

About (4R)-6-ethynyl-4-(methoxymethyl)-4-methyl-2,3-dihydrochromene

(4R)-6-ethynyl-4-(methoxymethyl)-4-methyl-2,3-dihydrochromene (PubChem CID 129385365) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is (4R)-6-ethynyl-4-(methoxymethyl)-4-methyl-2,3-dihydrochromene.

Molecular Properties

Compound Name(4R)-6-ethynyl-4-(methoxymethyl)-4-methyl-2,3-dihydrochromene
PubChem CID129385365
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name(4R)-6-ethynyl-4-(methoxymethyl)-4-methyl-2,3-dihydrochromene
SMILESC#Cc1ccc2c(c1)[C@](C)(COC)CCO2
InChIInChI=1S/C14H16O2/c1-4-11-5-6-13-12(9-11)14(2,10-15-3)7-8-16-13/h1,5-6,9H,7-8,10H2,2-3H3/t14-/m0/s1
InChIKeyWYOZOOHMOLFSDJ-AWEZNQCLSA-N
XLogP2.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-6-ethynyl-4-(methoxymethyl)-4-methyl-2,3-dihydrochromene?
The IUPAC name of (4R)-6-ethynyl-4-(methoxymethyl)-4-methyl-2,3-dihydrochromene (CID 129385365) is (4R)-6-ethynyl-4-(methoxymethyl)-4-methyl-2,3-dihydrochromene.
What is the SMILES notation for (4R)-6-ethynyl-4-(methoxymethyl)-4-methyl-2,3-dihydrochromene?
The canonical SMILES for (4R)-6-ethynyl-4-(methoxymethyl)-4-methyl-2,3-dihydrochromene is C#Cc1ccc2c(c1)[C@](C)(COC)CCO2.
What is the InChIKey of (4R)-6-ethynyl-4-(methoxymethyl)-4-methyl-2,3-dihydrochromene?
The InChIKey is WYOZOOHMOLFSDJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H16O2/c1-4-11-5-6-13-12(9-11)14(2,10-15-3)7-8-16-13/h1,5-6,9H,7-8,10H2,2-3H3/t14-/m0/s1.
What are the key properties of (4R)-6-ethynyl-4-(methoxymethyl)-4-methyl-2,3-dihydrochromene?
(4R)-6-ethynyl-4-(methoxymethyl)-4-methyl-2,3-dihydrochromene has a molecular weight of 216.28 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-ethynyl-4-(methoxymethyl)-4-methyl-2,3-dihydrochromene is sourced from PubChem (CID 129385365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).