(5R)-2,2,4-trimethyl-5-prop-2-enyl-5,6-dihydrochromene

C15H20O — CID 57268719

IUPAC(5R)-2,2,4-trimethyl-5-prop-2-enyl-5,6-dihydrochromene
SMILESC=CC[C@@H]1CC=CC2=C1C(C)=CC(C)(C)O2
InChIInChI=1S/C15H20O/c1-5-7-12-8-6-9-13-14(12)11(2)10-15(3,4)16-13/h5-6,9-10,12H,1,7-8H2,2-4H3/t12-/m1/s1
InChIKeyVGSKTNUOERTHDJ-GFCCVEGCSA-N
MW216.32 g/mol
LogP4.15
Rot. Bonds2

About (5R)-2,2,4-trimethyl-5-prop-2-enyl-5,6-dihydrochromene

(5R)-2,2,4-trimethyl-5-prop-2-enyl-5,6-dihydrochromene (PubChem CID 57268719) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is (5R)-2,2,4-trimethyl-5-prop-2-enyl-5,6-dihydrochromene.

Molecular Properties

Compound Name(5R)-2,2,4-trimethyl-5-prop-2-enyl-5,6-dihydrochromene
PubChem CID57268719
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name(5R)-2,2,4-trimethyl-5-prop-2-enyl-5,6-dihydrochromene
SMILESC=CC[C@@H]1CC=CC2=C1C(C)=CC(C)(C)O2
InChIInChI=1S/C15H20O/c1-5-7-12-8-6-9-13-14(12)11(2)10-15(3,4)16-13/h5-6,9-10,12H,1,7-8H2,2-4H3/t12-/m1/s1
InChIKeyVGSKTNUOERTHDJ-GFCCVEGCSA-N
XLogP4.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (5R)-2,2,4-trimethyl-5-prop-2-enyl-5,6-dihydrochromene?
The IUPAC name of (5R)-2,2,4-trimethyl-5-prop-2-enyl-5,6-dihydrochromene (CID 57268719) is (5R)-2,2,4-trimethyl-5-prop-2-enyl-5,6-dihydrochromene.
What is the SMILES notation for (5R)-2,2,4-trimethyl-5-prop-2-enyl-5,6-dihydrochromene?
The canonical SMILES for (5R)-2,2,4-trimethyl-5-prop-2-enyl-5,6-dihydrochromene is C=CC[C@@H]1CC=CC2=C1C(C)=CC(C)(C)O2.
What is the InChIKey of (5R)-2,2,4-trimethyl-5-prop-2-enyl-5,6-dihydrochromene?
The InChIKey is VGSKTNUOERTHDJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H20O/c1-5-7-12-8-6-9-13-14(12)11(2)10-15(3,4)16-13/h5-6,9-10,12H,1,7-8H2,2-4H3/t12-/m1/s1.
What are the key properties of (5R)-2,2,4-trimethyl-5-prop-2-enyl-5,6-dihydrochromene?
(5R)-2,2,4-trimethyl-5-prop-2-enyl-5,6-dihydrochromene has a molecular weight of 216.32 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2,2,4-trimethyl-5-prop-2-enyl-5,6-dihydrochromene is sourced from PubChem (CID 57268719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).