ethane;6-ethyl-6-methylcyclohepta[b]furan

C14H20O — CID 142022773

IUPACethane;6-ethyl-6-methylcyclohepta[b]furan
SMILESCC.CCC1(C)C=Cc2ccoc2C=C1
InChIInChI=1S/C12H14O.C2H6/c1-3-12(2)7-4-10-6-9-13-11(10)5-8-12;1-2/h4-9H,3H2,1-2H3;1-2H3
InChIKeyLJCIVDMHUJHSRX-UHFFFAOYSA-N
MW204.31 g/mol
LogP4.76
Rot. Bonds1

About ethane;6-ethyl-6-methylcyclohepta[b]furan

ethane;6-ethyl-6-methylcyclohepta[b]furan (PubChem CID 142022773) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is ethane;6-ethyl-6-methylcyclohepta[b]furan.

Molecular Properties

Compound Nameethane;6-ethyl-6-methylcyclohepta[b]furan
PubChem CID142022773
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Nameethane;6-ethyl-6-methylcyclohepta[b]furan
SMILESCC.CCC1(C)C=Cc2ccoc2C=C1
InChIInChI=1S/C12H14O.C2H6/c1-3-12(2)7-4-10-6-9-13-11(10)5-8-12;1-2/h4-9H,3H2,1-2H3;1-2H3
InChIKeyLJCIVDMHUJHSRX-UHFFFAOYSA-N
XLogP4.76
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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7,7-dimethylcyclohepta[b]pyran-2-one
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2,3-dimethylfuran;propane
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7-ethyl-7-methyl-5,6-dihydro-4H-furo[2,3-c]pyridine
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5-ethyl-5-methyl-2-methylsulfanylcyclohepta-1,3,6-triene-1-carboxylic acid
CID 90688572
2-(7-methylbenzo[7]annulen-7-yl)acetic acid
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Frequently Asked Questions

What is the IUPAC name of ethane;6-ethyl-6-methylcyclohepta[b]furan?
The IUPAC name of ethane;6-ethyl-6-methylcyclohepta[b]furan (CID 142022773) is ethane;6-ethyl-6-methylcyclohepta[b]furan.
What is the SMILES notation for ethane;6-ethyl-6-methylcyclohepta[b]furan?
The canonical SMILES for ethane;6-ethyl-6-methylcyclohepta[b]furan is CC.CCC1(C)C=Cc2ccoc2C=C1.
What is the InChIKey of ethane;6-ethyl-6-methylcyclohepta[b]furan?
The InChIKey is LJCIVDMHUJHSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O.C2H6/c1-3-12(2)7-4-10-6-9-13-11(10)5-8-12;1-2/h4-9H,3H2,1-2H3;1-2H3.
What are the key properties of ethane;6-ethyl-6-methylcyclohepta[b]furan?
ethane;6-ethyl-6-methylcyclohepta[b]furan has a molecular weight of 204.31 g/mol, XLogP of 4.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-ethyl-6-methylcyclohepta[b]furan is sourced from PubChem (CID 142022773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).