(2S)-2-ethenyl-2-methyl-6-propan-2-yl-3,4-dihydrochromene

C15H20O — CID 102455266

IUPAC(2S)-2-ethenyl-2-methyl-6-propan-2-yl-3,4-dihydrochromene
SMILESC=C[C@]1(C)CCc2cc(C(C)C)ccc2O1
InChIInChI=1S/C15H20O/c1-5-15(4)9-8-13-10-12(11(2)3)6-7-14(13)16-15/h5-7,10-11H,1,8-9H2,2-4H3/t15-/m1/s1
InChIKeyIWYGSUPTWJGHRU-OAHLLOKOSA-N
MW216.32 g/mol
LogP4.08
Rot. Bonds2

About (2S)-2-ethenyl-2-methyl-6-propan-2-yl-3,4-dihydrochromene

(2S)-2-ethenyl-2-methyl-6-propan-2-yl-3,4-dihydrochromene (PubChem CID 102455266) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is (2S)-2-ethenyl-2-methyl-6-propan-2-yl-3,4-dihydrochromene.

Molecular Properties

Compound Name(2S)-2-ethenyl-2-methyl-6-propan-2-yl-3,4-dihydrochromene
PubChem CID102455266
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name(2S)-2-ethenyl-2-methyl-6-propan-2-yl-3,4-dihydrochromene
SMILESC=C[C@]1(C)CCc2cc(C(C)C)ccc2O1
InChIInChI=1S/C15H20O/c1-5-15(4)9-8-13-10-12(11(2)3)6-7-14(13)16-15/h5-7,10-11H,1,8-9H2,2-4H3/t15-/m1/s1
InChIKeyIWYGSUPTWJGHRU-OAHLLOKOSA-N
XLogP4.08
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 ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-2-ethenyl-2-methyl-3,4-dihydrochromene
CID 121007981
(1R)-1-(2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanamine
CID 42129765
(2R)-6-fluoro-2-methyl-3,4-dihydrochromene-2-carbaldehyde
CID 88857910
7,10a-dimethyl-3-propan-2-yl-5,6,6a,8,9,10-hexahydrobenzo[b][1]benzoxepine-7-carboxylic acid
CID 75051768
5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-2,3-dihydro-1-benzofuran
CID 158005969
ethane;6-propan-2-yl-3,4-dihydrochromen-2-one
CID 154661810
2-(2,2-dimethyl-4,5-dihydro-3H-1-benzoxepin-7-yl)propan-1-amine
CID 117096978
2-hydroxy-6-propan-2-yl-3,4-dihydro-1,2-benzoxaborinine
CID 170670927
2-amino-1-(2,2-dimethyl-4,5-dihydro-3H-1-benzoxepin-7-yl)ethanol
CID 117097087
3-(2,2-dimethyl-3,4-dihydrochromen-6-yl)butanoic acid
CID 117097127
ethane;2-fluoro-2-methyl-5-propan-2-yl-1,3-benzodioxole
CID 145165904
3,3-difluoro-6-propan-2-yl-2,4-dihydrochromene
CID 59613675

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethenyl-2-methyl-6-propan-2-yl-3,4-dihydrochromene?
The IUPAC name of (2S)-2-ethenyl-2-methyl-6-propan-2-yl-3,4-dihydrochromene (CID 102455266) is (2S)-2-ethenyl-2-methyl-6-propan-2-yl-3,4-dihydrochromene.
What is the SMILES notation for (2S)-2-ethenyl-2-methyl-6-propan-2-yl-3,4-dihydrochromene?
The canonical SMILES for (2S)-2-ethenyl-2-methyl-6-propan-2-yl-3,4-dihydrochromene is C=C[C@]1(C)CCc2cc(C(C)C)ccc2O1.
What is the InChIKey of (2S)-2-ethenyl-2-methyl-6-propan-2-yl-3,4-dihydrochromene?
The InChIKey is IWYGSUPTWJGHRU-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H20O/c1-5-15(4)9-8-13-10-12(11(2)3)6-7-14(13)16-15/h5-7,10-11H,1,8-9H2,2-4H3/t15-/m1/s1.
What are the key properties of (2S)-2-ethenyl-2-methyl-6-propan-2-yl-3,4-dihydrochromene?
(2S)-2-ethenyl-2-methyl-6-propan-2-yl-3,4-dihydrochromene has a molecular weight of 216.32 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethenyl-2-methyl-6-propan-2-yl-3,4-dihydrochromene is sourced from PubChem (CID 102455266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).