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

C16H24O — CID 57259715

IUPAC(5R)-5-butyl-2,2,4-trimethyl-5,6-dihydrochromene
SMILESCCCC[C@@H]1CC=CC2=C1C(C)=CC(C)(C)O2
InChIInChI=1S/C16H24O/c1-5-6-8-13-9-7-10-14-15(13)12(2)11-16(3,4)17-14/h7,10-11,13H,5-6,8-9H2,1-4H3/t13-/m1/s1
InChIKeyMKHWFOCVUGPSKZ-CYBMUJFWSA-N
MW232.37 g/mol
LogP4.76
Rot. Bonds3

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

(5R)-5-butyl-2,2,4-trimethyl-5,6-dihydrochromene (PubChem CID 57259715) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is (5R)-5-butyl-2,2,4-trimethyl-5,6-dihydrochromene.

Molecular Properties

Compound Name(5R)-5-butyl-2,2,4-trimethyl-5,6-dihydrochromene
PubChem CID57259715
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name(5R)-5-butyl-2,2,4-trimethyl-5,6-dihydrochromene
SMILESCCCC[C@@H]1CC=CC2=C1C(C)=CC(C)(C)O2
InChIInChI=1S/C16H24O/c1-5-6-8-13-9-7-10-14-15(13)12(2)11-16(3,4)17-14/h7,10-11,13H,5-6,8-9H2,1-4H3/t13-/m1/s1
InChIKeyMKHWFOCVUGPSKZ-CYBMUJFWSA-N
XLogP4.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (5R)-5-butyl-2,2,4-trimethyl-5,6-dihydrochromene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,4S)-3,5-dibutyl-2,2,4-trimethyl-5,6-dihydro-4H-chromen-3-ol
CID 57028384
6-butyl-1,3,3-trimethylcyclohexene
CID 176917622
(6R)-1-methyl-6-propylcyclohexa-1,3-diene
CID 163989420
[(E)-1-[(2R,4S)-4-butyl-2-methyl-5-oxooxolan-2-yl]ethylideneamino]thiourea
CID 7302139
5-butyl-2-methylcyclohexa-1,3-diene
CID 12596747
7-butylcyclohept-2-en-1-one
CID 13297854
(2S)-2-pentyl-2,3-dihydropyran-6-one;(2R)-2-pentyl-2,3-dihydropyran-6-one
CID 91936907
10-butyl-9-methyl-5-methylidene-9,10-dihydro-8H-benzo[8]annulene
CID 163688511
2-nonyl-2,3-dihydropyran-6-one
CID 15825660
(3S)-3-butyloxetan-2-one
CID 11491937
1-butyl-2-ethenylidenecyclopropane
CID 123771131
[2-(4-butyl-2-methyl-5-oxooxolan-2-yl)-2-oxoethyl]-pyridin-2-ylazanium
CID 3324672

Frequently Asked Questions

What is the IUPAC name of (5R)-5-butyl-2,2,4-trimethyl-5,6-dihydrochromene?
The IUPAC name of (5R)-5-butyl-2,2,4-trimethyl-5,6-dihydrochromene (CID 57259715) is (5R)-5-butyl-2,2,4-trimethyl-5,6-dihydrochromene.
What is the SMILES notation for (5R)-5-butyl-2,2,4-trimethyl-5,6-dihydrochromene?
The canonical SMILES for (5R)-5-butyl-2,2,4-trimethyl-5,6-dihydrochromene is CCCC[C@@H]1CC=CC2=C1C(C)=CC(C)(C)O2.
What is the InChIKey of (5R)-5-butyl-2,2,4-trimethyl-5,6-dihydrochromene?
The InChIKey is MKHWFOCVUGPSKZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24O/c1-5-6-8-13-9-7-10-14-15(13)12(2)11-16(3,4)17-14/h7,10-11,13H,5-6,8-9H2,1-4H3/t13-/m1/s1.
What are the key properties of (5R)-5-butyl-2,2,4-trimethyl-5,6-dihydrochromene?
(5R)-5-butyl-2,2,4-trimethyl-5,6-dihydrochromene has a molecular weight of 232.37 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-butyl-2,2,4-trimethyl-5,6-dihydrochromene is sourced from PubChem (CID 57259715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).