ethane;2-methyl-6H-cyclohepta[b]furan

C12H16O — CID 155574289

IUPACethane;2-methyl-6H-cyclohepta[b]furan
SMILESCC.Cc1cc2c(o1)C=CCC=C2
InChIInChI=1S/C10H10O.C2H6/c1-8-7-9-5-3-2-4-6-10(9)11-8;1-2/h3-7H,2H2,1H3;1-2H3
InChIKeyCURPQJIHYVFTNG-UHFFFAOYSA-N
MW176.26 g/mol
LogP4.04
Rot. Bonds

About ethane;2-methyl-6H-cyclohepta[b]furan

ethane;2-methyl-6H-cyclohepta[b]furan (PubChem CID 155574289) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is ethane;2-methyl-6H-cyclohepta[b]furan.

Molecular Properties

Compound Nameethane;2-methyl-6H-cyclohepta[b]furan
PubChem CID155574289
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Nameethane;2-methyl-6H-cyclohepta[b]furan
SMILESCC.Cc1cc2c(o1)C=CCC=C2
InChIInChI=1S/C10H10O.C2H6/c1-8-7-9-5-3-2-4-6-10(9)11-8;1-2/h3-7H,2H2,1H3;1-2H3
InChIKeyCURPQJIHYVFTNG-UHFFFAOYSA-N
XLogP4.04
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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3-methyl-7H-cyclohepta[b]pyridine
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CID 143798308
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CID 171509534
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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-6H-cyclohepta[b]furan?
The IUPAC name of ethane;2-methyl-6H-cyclohepta[b]furan (CID 155574289) is ethane;2-methyl-6H-cyclohepta[b]furan.
What is the SMILES notation for ethane;2-methyl-6H-cyclohepta[b]furan?
The canonical SMILES for ethane;2-methyl-6H-cyclohepta[b]furan is CC.Cc1cc2c(o1)C=CCC=C2.
What is the InChIKey of ethane;2-methyl-6H-cyclohepta[b]furan?
The InChIKey is CURPQJIHYVFTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O.C2H6/c1-8-7-9-5-3-2-4-6-10(9)11-8;1-2/h3-7H,2H2,1H3;1-2H3.
What are the key properties of ethane;2-methyl-6H-cyclohepta[b]furan?
ethane;2-methyl-6H-cyclohepta[b]furan has a molecular weight of 176.26 g/mol, XLogP of 4.04, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-6H-cyclohepta[b]furan is sourced from PubChem (CID 155574289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).