2-methyl-2-(3,3,6,6-tetramethoxycyclohexa-1,4-dien-1-yl)-1,3-dioxolane

C14H22O6 — CID 10039620

IUPAC2-methyl-2-(3,3,6,6-tetramethoxycyclohexa-1,4-dien-1-yl)-1,3-dioxolane
SMILESCOC1(OC)C=CC(OC)(OC)C(C2(C)OCCO2)=C1
InChIInChI=1S/C14H22O6/c1-12(19-8-9-20-12)11-10-13(15-2,16-3)6-7-14(11,17-4)18-5/h6-7,10H,8-9H2,1-5H3
InChIKeyPPPCHKOIYNEHEO-UHFFFAOYSA-N
MW286.32 g/mol
LogP1.22
Rot. Bonds5

About 2-methyl-2-(3,3,6,6-tetramethoxycyclohexa-1,4-dien-1-yl)-1,3-dioxolane

2-methyl-2-(3,3,6,6-tetramethoxycyclohexa-1,4-dien-1-yl)-1,3-dioxolane (PubChem CID 10039620) has the molecular formula C14H22O6 and a molecular weight of 286.32 g/mol. Its IUPAC name is 2-methyl-2-(3,3,6,6-tetramethoxycyclohexa-1,4-dien-1-yl)-1,3-dioxolane.

Molecular Properties

Compound Name2-methyl-2-(3,3,6,6-tetramethoxycyclohexa-1,4-dien-1-yl)-1,3-dioxolane
PubChem CID10039620
Molecular FormulaC14H22O6
Molecular Weight286.32 g/mol
Exact Mass286.14
IUPAC Name2-methyl-2-(3,3,6,6-tetramethoxycyclohexa-1,4-dien-1-yl)-1,3-dioxolane
SMILESCOC1(OC)C=CC(OC)(OC)C(C2(C)OCCO2)=C1
InChIInChI=1S/C14H22O6/c1-12(19-8-9-20-12)11-10-13(15-2,16-3)6-7-14(11,17-4)18-5/h6-7,10H,8-9H2,1-5H3
InChIKeyPPPCHKOIYNEHEO-UHFFFAOYSA-N
XLogP1.22
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3,3,6,6-tetramethoxycyclohexa-1,4-dien-1-yl)acetamide
CID 11777218
2-(4-methoxy-2,6-dimethylphenyl)-2-methyl-1,3-dioxolane
CID 83958950
2-(5-chloro-2-methoxyphenyl)-2-methyl-1,3-dioxolane
CID 82128354
2-(2-methoxy-4,5-dimethylphenyl)-2-methyl-1,3-dioxolane
CID 82127880
2-methyl-2-[4-[[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]disulfanyl]phenyl]-1,3-dioxolane
CID 15223593
2,2-dimethoxycyclopent-3-en-1-one
CID 70009415
4-(2-methyl-1,3-dioxolan-2-yl)benzenethiol
CID 18996070
2-(2-fluoro-4-methoxyphenyl)-2-methyl-1,3-dioxolane
CID 22615139
2-(4-ethoxyphenyl)-2-methyl-1,3-dioxolane
CID 82126602
methyl 3-[5-(2-methyl-1,3-dioxolan-2-yl)furan-2-yl]prop-2-enoate
CID 175475252
methyl 4-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]benzoate
CID 122384679
5,5,11,11,17,17,23,23,25,25,26,26,27,27,28,28-hexadecamethoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,6,9,12,15,18,21-octaene
CID 101143097

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(3,3,6,6-tetramethoxycyclohexa-1,4-dien-1-yl)-1,3-dioxolane?
The IUPAC name of 2-methyl-2-(3,3,6,6-tetramethoxycyclohexa-1,4-dien-1-yl)-1,3-dioxolane (CID 10039620) is 2-methyl-2-(3,3,6,6-tetramethoxycyclohexa-1,4-dien-1-yl)-1,3-dioxolane.
What is the SMILES notation for 2-methyl-2-(3,3,6,6-tetramethoxycyclohexa-1,4-dien-1-yl)-1,3-dioxolane?
The canonical SMILES for 2-methyl-2-(3,3,6,6-tetramethoxycyclohexa-1,4-dien-1-yl)-1,3-dioxolane is COC1(OC)C=CC(OC)(OC)C(C2(C)OCCO2)=C1.
What is the InChIKey of 2-methyl-2-(3,3,6,6-tetramethoxycyclohexa-1,4-dien-1-yl)-1,3-dioxolane?
The InChIKey is PPPCHKOIYNEHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O6/c1-12(19-8-9-20-12)11-10-13(15-2,16-3)6-7-14(11,17-4)18-5/h6-7,10H,8-9H2,1-5H3.
What are the key properties of 2-methyl-2-(3,3,6,6-tetramethoxycyclohexa-1,4-dien-1-yl)-1,3-dioxolane?
2-methyl-2-(3,3,6,6-tetramethoxycyclohexa-1,4-dien-1-yl)-1,3-dioxolane has a molecular weight of 286.32 g/mol, XLogP of 1.22, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(3,3,6,6-tetramethoxycyclohexa-1,4-dien-1-yl)-1,3-dioxolane is sourced from PubChem (CID 10039620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).