(5R)-5-hexyl-2,2,4-trimethyl-5,6-dihydrochromene

C18H28O — CID 57125759

IUPAC(5R)-5-hexyl-2,2,4-trimethyl-5,6-dihydrochromene
SMILESCCCCCC[C@@H]1CC=CC2=C1C(C)=CC(C)(C)O2
InChIInChI=1S/C18H28O/c1-5-6-7-8-10-15-11-9-12-16-17(15)14(2)13-18(3,4)19-16/h9,12-13,15H,5-8,10-11H2,1-4H3/t15-/m1/s1
InChIKeyAKDSOECAUVCTRP-OAHLLOKOSA-N
MW260.42 g/mol
LogP5.54
Rot. Bonds5

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

(5R)-5-hexyl-2,2,4-trimethyl-5,6-dihydrochromene (PubChem CID 57125759) has the molecular formula C18H28O and a molecular weight of 260.42 g/mol. Its IUPAC name is (5R)-5-hexyl-2,2,4-trimethyl-5,6-dihydrochromene.

Molecular Properties

Compound Name(5R)-5-hexyl-2,2,4-trimethyl-5,6-dihydrochromene
PubChem CID57125759
Molecular FormulaC18H28O
Molecular Weight260.42 g/mol
Exact Mass260.21
IUPAC Name(5R)-5-hexyl-2,2,4-trimethyl-5,6-dihydrochromene
SMILESCCCCCC[C@@H]1CC=CC2=C1C(C)=CC(C)(C)O2
InChIInChI=1S/C18H28O/c1-5-6-7-8-10-15-11-9-12-16-17(15)14(2)13-18(3,4)19-16/h9,12-13,15H,5-8,10-11H2,1-4H3/t15-/m1/s1
InChIKeyAKDSOECAUVCTRP-OAHLLOKOSA-N
XLogP5.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.42
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-hexyl-2,2,4-trimethyl-5,6-dihydrochromene?
The IUPAC name of (5R)-5-hexyl-2,2,4-trimethyl-5,6-dihydrochromene (CID 57125759) is (5R)-5-hexyl-2,2,4-trimethyl-5,6-dihydrochromene.
What is the SMILES notation for (5R)-5-hexyl-2,2,4-trimethyl-5,6-dihydrochromene?
The canonical SMILES for (5R)-5-hexyl-2,2,4-trimethyl-5,6-dihydrochromene is CCCCCC[C@@H]1CC=CC2=C1C(C)=CC(C)(C)O2.
What is the InChIKey of (5R)-5-hexyl-2,2,4-trimethyl-5,6-dihydrochromene?
The InChIKey is AKDSOECAUVCTRP-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H28O/c1-5-6-7-8-10-15-11-9-12-16-17(15)14(2)13-18(3,4)19-16/h9,12-13,15H,5-8,10-11H2,1-4H3/t15-/m1/s1.
What are the key properties of (5R)-5-hexyl-2,2,4-trimethyl-5,6-dihydrochromene?
(5R)-5-hexyl-2,2,4-trimethyl-5,6-dihydrochromene has a molecular weight of 260.42 g/mol, XLogP of 5.54, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-hexyl-2,2,4-trimethyl-5,6-dihydrochromene is sourced from PubChem (CID 57125759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).