5,6-dimethyl-6-[(1S)-1-phenylethyl]-2,5-dihydropyran

C15H20O — CID 174816714

IUPAC5,6-dimethyl-6-[(1S)-1-phenylethyl]-2,5-dihydropyran
SMILESCC1C=CCOC1(C)[C@@H](C)c1ccccc1
InChIInChI=1S/C15H20O/c1-12-8-7-11-16-15(12,3)13(2)14-9-5-4-6-10-14/h4-10,12-13H,11H2,1-3H3/t12?,13-,15?/m0/s1
InChIKeyWBJHUMLOOPLCIP-OWYJLGKBSA-N
MW216.32 g/mol
LogP3.77
Rot. Bonds2

About 5,6-dimethyl-6-[(1S)-1-phenylethyl]-2,5-dihydropyran

5,6-dimethyl-6-[(1S)-1-phenylethyl]-2,5-dihydropyran (PubChem CID 174816714) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 5,6-dimethyl-6-[(1S)-1-phenylethyl]-2,5-dihydropyran.

Molecular Properties

Compound Name5,6-dimethyl-6-[(1S)-1-phenylethyl]-2,5-dihydropyran
PubChem CID174816714
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name5,6-dimethyl-6-[(1S)-1-phenylethyl]-2,5-dihydropyran
SMILESCC1C=CCOC1(C)[C@@H](C)c1ccccc1
InChIInChI=1S/C15H20O/c1-12-8-7-11-16-15(12,3)13(2)14-9-5-4-6-10-14/h4-10,12-13H,11H2,1-3H3/t12?,13-,15?/m0/s1
InChIKeyWBJHUMLOOPLCIP-OWYJLGKBSA-N
XLogP3.77
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 ≤ 53.77
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

1-(1-methylcyclohexyl)ethylbenzene
CID 139768950
1-(1-phenylethyl)cyclopropan-1-amine;hydrochloride
CID 138987875
[1,2-dimethyl-2-(1-phenylethyl)cyclopropyl]methanol
CID 78427689
5-benzhydryl-2-methyl-1-oxa-5-azaspiro[2.3]hexane
CID 167092209
(7S)-7-methyl-8-[(1S)-1-phenylethyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 102337608
(6R)-6-methyl-6-phenyl-2,5-dihydropyran
CID 100966359
[(1S)-1-cyclopentylethyl]benzene
CID 102346711
(2R,3R)-2,3-dimethyl-2-(1-phenylethylsulfonyl)oxirane
CID 11680304
cumene;2-methyloxane
CID 156699052
1-(5-methylcyclohex-3-en-1-yl)ethylbenzene
CID 123861513
2,2-dimethyl-1-(1-phenylethyl)-1,5-diazocane
CID 117014797
2',2'-diethyl-6',6'-dimethyl-1'-(1-phenylethoxy)spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,4'-piperidine]
CID 58982491

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-6-[(1S)-1-phenylethyl]-2,5-dihydropyran?
The IUPAC name of 5,6-dimethyl-6-[(1S)-1-phenylethyl]-2,5-dihydropyran (CID 174816714) is 5,6-dimethyl-6-[(1S)-1-phenylethyl]-2,5-dihydropyran.
What is the SMILES notation for 5,6-dimethyl-6-[(1S)-1-phenylethyl]-2,5-dihydropyran?
The canonical SMILES for 5,6-dimethyl-6-[(1S)-1-phenylethyl]-2,5-dihydropyran is CC1C=CCOC1(C)[C@@H](C)c1ccccc1.
What is the InChIKey of 5,6-dimethyl-6-[(1S)-1-phenylethyl]-2,5-dihydropyran?
The InChIKey is WBJHUMLOOPLCIP-OWYJLGKBSA-N. The full InChI is InChI=1S/C15H20O/c1-12-8-7-11-16-15(12,3)13(2)14-9-5-4-6-10-14/h4-10,12-13H,11H2,1-3H3/t12?,13-,15?/m0/s1.
What are the key properties of 5,6-dimethyl-6-[(1S)-1-phenylethyl]-2,5-dihydropyran?
5,6-dimethyl-6-[(1S)-1-phenylethyl]-2,5-dihydropyran has a molecular weight of 216.32 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-6-[(1S)-1-phenylethyl]-2,5-dihydropyran is sourced from PubChem (CID 174816714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).