6-methyl-6-(2-methylbutyl)-2,3-dihydrocyclohepta[b]furan

C15H22O — CID 91056733

IUPAC6-methyl-6-(2-methylbutyl)-2,3-dihydrocyclohepta[b]furan
SMILESCCC(C)CC1(C)C=CC2=C(C=C1)OCC2
InChIInChI=1S/C15H22O/c1-4-12(2)11-15(3)8-5-13-7-10-16-14(13)6-9-15/h5-6,8-9,12H,4,7,10-11H2,1-3H3
InChIKeySDZZXEXIFDRHJW-UHFFFAOYSA-N
MW218.34 g/mol
LogP4.23
Rot. Bonds3

About 6-methyl-6-(2-methylbutyl)-2,3-dihydrocyclohepta[b]furan

6-methyl-6-(2-methylbutyl)-2,3-dihydrocyclohepta[b]furan (PubChem CID 91056733) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 6-methyl-6-(2-methylbutyl)-2,3-dihydrocyclohepta[b]furan.

Molecular Properties

Compound Name6-methyl-6-(2-methylbutyl)-2,3-dihydrocyclohepta[b]furan
PubChem CID91056733
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name6-methyl-6-(2-methylbutyl)-2,3-dihydrocyclohepta[b]furan
SMILESCCC(C)CC1(C)C=CC2=C(C=C1)OCC2
InChIInChI=1S/C15H22O/c1-4-12(2)11-15(3)8-5-13-7-10-16-14(13)6-9-15/h5-6,8-9,12H,4,7,10-11H2,1-3H3
InChIKeySDZZXEXIFDRHJW-UHFFFAOYSA-N
XLogP4.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-6-(2-methylbutyl)-2,3-dihydrocyclohepta[b]furan?
The IUPAC name of 6-methyl-6-(2-methylbutyl)-2,3-dihydrocyclohepta[b]furan (CID 91056733) is 6-methyl-6-(2-methylbutyl)-2,3-dihydrocyclohepta[b]furan.
What is the SMILES notation for 6-methyl-6-(2-methylbutyl)-2,3-dihydrocyclohepta[b]furan?
The canonical SMILES for 6-methyl-6-(2-methylbutyl)-2,3-dihydrocyclohepta[b]furan is CCC(C)CC1(C)C=CC2=C(C=C1)OCC2.
What is the InChIKey of 6-methyl-6-(2-methylbutyl)-2,3-dihydrocyclohepta[b]furan?
The InChIKey is SDZZXEXIFDRHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-4-12(2)11-15(3)8-5-13-7-10-16-14(13)6-9-15/h5-6,8-9,12H,4,7,10-11H2,1-3H3.
What are the key properties of 6-methyl-6-(2-methylbutyl)-2,3-dihydrocyclohepta[b]furan?
6-methyl-6-(2-methylbutyl)-2,3-dihydrocyclohepta[b]furan has a molecular weight of 218.34 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-6-(2-methylbutyl)-2,3-dihydrocyclohepta[b]furan is sourced from PubChem (CID 91056733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).