ethane;6-methyl-2,3,7,8-tetrahydro-1,4-benzodioxine

C11H18O2 — CID 143447891

IUPACethane;6-methyl-2,3,7,8-tetrahydro-1,4-benzodioxine
SMILESCC.CC1=CC2=C(CC1)OCCO2
InChIInChI=1S/C9H12O2.C2H6/c1-7-2-3-8-9(6-7)11-5-4-10-8;1-2/h6H,2-5H2,1H3;1-2H3
InChIKeyUQTPFTXCBMKKCC-UHFFFAOYSA-N
MW182.26 g/mol
LogP3.01
Rot. Bonds

About ethane;6-methyl-2,3,7,8-tetrahydro-1,4-benzodioxine

ethane;6-methyl-2,3,7,8-tetrahydro-1,4-benzodioxine (PubChem CID 143447891) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is ethane;6-methyl-2,3,7,8-tetrahydro-1,4-benzodioxine.

Molecular Properties

Compound Nameethane;6-methyl-2,3,7,8-tetrahydro-1,4-benzodioxine
PubChem CID143447891
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Nameethane;6-methyl-2,3,7,8-tetrahydro-1,4-benzodioxine
SMILESCC.CC1=CC2=C(CC1)OCCO2
InChIInChI=1S/C9H12O2.C2H6/c1-7-2-3-8-9(6-7)11-5-4-10-8;1-2/h6H,2-5H2,1H3;1-2H3
InChIKeyUQTPFTXCBMKKCC-UHFFFAOYSA-N
XLogP3.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-[(1E)-1-ethoxybuta-1,3-dienyl]-2,3,4,5-tetrahydrooxepine
CID 11287020
6-[(1E)-1-ethoxybuta-1,3-dienyl]-3,4-dihydro-2H-pyran
CID 11458036
(2S)-2-methyl-6-[(2S)-2-methyl-3,4-dihydro-2H-pyran-6-yl]-3,4-dihydro-2H-pyran
CID 10921415
2,3,7,8-Tetrahydrobenzo-p-dioxin
CID 21873558
4-Fluoro-2-(2-methoxyethoxy)-1-methylcyclohexa-1,3-diene
CID 169135542
8,9,18,19-Tetrahexoxytricyclo[14.4.0.06,11]icosa-1,2,3,4,5,7,9,11,12,13,14,15,17,19-tetradecaene
CID 132548308
8-Ethenyl-2,3,4,6-tetrahydrochromen-6-ide;rutherfordium
CID 134862260
(2R)-2-methyl-6-[(2R)-2-methyl-3,4-dihydro-2H-pyran-6-yl]-3,4-dihydro-2H-pyran
CID 162405266
6-[(1E)-1-ethoxy-2-methylbuta-1,3-dienyl]-3,4-dihydro-2H-pyran
CID 11321491
(2Z)-1,2-diethoxy-3,7-dimethylocta-2,6-diene
CID 17785178
2,4-Dimethoxy-1-methyl-2,3-dihydronaphthalene
CID 18740202
5-Methyl-2,3,6,7-tetrahydro-1,4-benzodioxine
CID 19426250

Frequently Asked Questions

What is the IUPAC name of ethane;6-methyl-2,3,7,8-tetrahydro-1,4-benzodioxine?
The IUPAC name of ethane;6-methyl-2,3,7,8-tetrahydro-1,4-benzodioxine (CID 143447891) is ethane;6-methyl-2,3,7,8-tetrahydro-1,4-benzodioxine.
What is the SMILES notation for ethane;6-methyl-2,3,7,8-tetrahydro-1,4-benzodioxine?
The canonical SMILES for ethane;6-methyl-2,3,7,8-tetrahydro-1,4-benzodioxine is CC.CC1=CC2=C(CC1)OCCO2.
What is the InChIKey of ethane;6-methyl-2,3,7,8-tetrahydro-1,4-benzodioxine?
The InChIKey is UQTPFTXCBMKKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2.C2H6/c1-7-2-3-8-9(6-7)11-5-4-10-8;1-2/h6H,2-5H2,1H3;1-2H3.
What are the key properties of ethane;6-methyl-2,3,7,8-tetrahydro-1,4-benzodioxine?
ethane;6-methyl-2,3,7,8-tetrahydro-1,4-benzodioxine has a molecular weight of 182.26 g/mol, XLogP of 3.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methyl-2,3,7,8-tetrahydro-1,4-benzodioxine is sourced from PubChem (CID 143447891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).