2,2-dimethoxy-3,5-dimethyl-3,4-dihydropyran

C9H16O3 — CID 12679185

IUPAC2,2-dimethoxy-3,5-dimethyl-3,4-dihydropyran
SMILESCOC1(OC)OC=C(C)CC1C
InChIInChI=1S/C9H16O3/c1-7-5-8(2)9(10-3,11-4)12-6-7/h6,8H,5H2,1-4H3
InChIKeyWODTVHIFFZYGRP-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.89
Rot. Bonds2

About 2,2-dimethoxy-3,5-dimethyl-3,4-dihydropyran

2,2-dimethoxy-3,5-dimethyl-3,4-dihydropyran (PubChem CID 12679185) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 2,2-dimethoxy-3,5-dimethyl-3,4-dihydropyran.

Molecular Properties

Compound Name2,2-dimethoxy-3,5-dimethyl-3,4-dihydropyran
PubChem CID12679185
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name2,2-dimethoxy-3,5-dimethyl-3,4-dihydropyran
SMILESCOC1(OC)OC=C(C)CC1C
InChIInChI=1S/C9H16O3/c1-7-5-8(2)9(10-3,11-4)12-6-7/h6,8H,5H2,1-4H3
InChIKeyWODTVHIFFZYGRP-UHFFFAOYSA-N
XLogP1.89
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethoxy-3-methyloxane
CID 158123944
(5S)-4,4-dimethoxy-3,5-dimethylcyclohex-2-en-1-one
CID 132820609
(2R)-2-methyl-1-(4-methyl-2,3-dihydrofuran-2-yl)aziridine
CID 160679708
(3S)-1,3-dimethylcyclobutene
CID 58737300
8a-methoxy-6-methyl-3,4,4a,5-tetrahydro-2H-chromen-8-one
CID 121006114
4-methoxy-1,3-dimethylcyclopentene
CID 174381720
2,2-dimethoxy-5-methyl-3H-furan
CID 12570620
methyl (2R)-2-[(2S,3S,6S)-3,9-dimethyl-5-oxo-1,7-dioxaspiro[5.5]undec-8-en-2-yl]propanoate
CID 23253265
methyl (2R)-2-[(2S,3R,6R)-3,9-dimethyl-5-oxo-1,7-dioxaspiro[5.5]undec-8-en-2-yl]propanoate
CID 23253263
methyl (5S)-2,5,6,6-tetramethylcyclohex-2-ene-1-carboxylate
CID 11481009
3,9,11-trimethyl-2,4-dioxaspiro[5.5]undec-8-ene
CID 3732384
3-methoxy-3,4,5-trimethylcyclohexa-1,5-dien-1-ol
CID 151725173

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxy-3,5-dimethyl-3,4-dihydropyran?
The IUPAC name of 2,2-dimethoxy-3,5-dimethyl-3,4-dihydropyran (CID 12679185) is 2,2-dimethoxy-3,5-dimethyl-3,4-dihydropyran.
What is the SMILES notation for 2,2-dimethoxy-3,5-dimethyl-3,4-dihydropyran?
The canonical SMILES for 2,2-dimethoxy-3,5-dimethyl-3,4-dihydropyran is COC1(OC)OC=C(C)CC1C.
What is the InChIKey of 2,2-dimethoxy-3,5-dimethyl-3,4-dihydropyran?
The InChIKey is WODTVHIFFZYGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-7-5-8(2)9(10-3,11-4)12-6-7/h6,8H,5H2,1-4H3.
What are the key properties of 2,2-dimethoxy-3,5-dimethyl-3,4-dihydropyran?
2,2-dimethoxy-3,5-dimethyl-3,4-dihydropyran has a molecular weight of 172.22 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxy-3,5-dimethyl-3,4-dihydropyran is sourced from PubChem (CID 12679185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).