(2R)-2-methyl-2-(4-methylpent-3-enyl)chromene

C16H20O — CID 177454161

IUPAC(2R)-2-methyl-2-(4-methylpent-3-enyl)chromene
SMILESCC(C)=CCC[C@]1(C)C=Cc2ccccc2O1
InChIInChI=1S/C16H20O/c1-13(2)7-6-11-16(3)12-10-14-8-4-5-9-15(14)17-16/h4-5,7-10,12H,6,11H2,1-3H3/t16-/m1/s1
InChIKeyHCILSAHRTJJNJS-MRXNPFEDSA-N
MW228.34 g/mol
LogP4.60
Rot. Bonds3

About (2R)-2-methyl-2-(4-methylpent-3-enyl)chromene

(2R)-2-methyl-2-(4-methylpent-3-enyl)chromene (PubChem CID 177454161) has the molecular formula C16H20O and a molecular weight of 228.34 g/mol. Its IUPAC name is (2R)-2-methyl-2-(4-methylpent-3-enyl)chromene.

Molecular Properties

Compound Name(2R)-2-methyl-2-(4-methylpent-3-enyl)chromene
PubChem CID177454161
Molecular FormulaC16H20O
Molecular Weight228.34 g/mol
Exact Mass228.15
IUPAC Name(2R)-2-methyl-2-(4-methylpent-3-enyl)chromene
SMILESCC(C)=CCC[C@]1(C)C=Cc2ccccc2O1
InChIInChI=1S/C16H20O/c1-13(2)7-6-11-16(3)12-10-14-8-4-5-9-15(14)17-16/h4-5,7-10,12H,6,11H2,1-3H3/t16-/m1/s1
InChIKeyHCILSAHRTJJNJS-MRXNPFEDSA-N
XLogP4.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 54.60
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 (2R)-2-methyl-2-(4-methylpent-3-enyl)chromene?
The IUPAC name of (2R)-2-methyl-2-(4-methylpent-3-enyl)chromene (CID 177454161) is (2R)-2-methyl-2-(4-methylpent-3-enyl)chromene.
What is the SMILES notation for (2R)-2-methyl-2-(4-methylpent-3-enyl)chromene?
The canonical SMILES for (2R)-2-methyl-2-(4-methylpent-3-enyl)chromene is CC(C)=CCC[C@]1(C)C=Cc2ccccc2O1.
What is the InChIKey of (2R)-2-methyl-2-(4-methylpent-3-enyl)chromene?
The InChIKey is HCILSAHRTJJNJS-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H20O/c1-13(2)7-6-11-16(3)12-10-14-8-4-5-9-15(14)17-16/h4-5,7-10,12H,6,11H2,1-3H3/t16-/m1/s1.
What are the key properties of (2R)-2-methyl-2-(4-methylpent-3-enyl)chromene?
(2R)-2-methyl-2-(4-methylpent-3-enyl)chromene has a molecular weight of 228.34 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-2-(4-methylpent-3-enyl)chromene is sourced from PubChem (CID 177454161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).