6-propan-2-yl-3,7-dihydro-2H-cyclohepta[b]furan

C12H16O — CID 167192777

IUPAC6-propan-2-yl-3,7-dihydro-2H-cyclohepta[b]furan
SMILESCC(C)C1=CC=C2CCOC2=CC1
InChIInChI=1S/C12H16O/c1-9(2)10-3-4-11-7-8-13-12(11)6-5-10/h3-4,6,9H,5,7-8H2,1-2H3
InChIKeyLRGHCSSNTPDWBC-UHFFFAOYSA-N
MW176.26 g/mol
LogP3.20
Rot. Bonds1

About 6-propan-2-yl-3,7-dihydro-2H-cyclohepta[b]furan

6-propan-2-yl-3,7-dihydro-2H-cyclohepta[b]furan (PubChem CID 167192777) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 6-propan-2-yl-3,7-dihydro-2H-cyclohepta[b]furan.

Molecular Properties

Compound Name6-propan-2-yl-3,7-dihydro-2H-cyclohepta[b]furan
PubChem CID167192777
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name6-propan-2-yl-3,7-dihydro-2H-cyclohepta[b]furan
SMILESCC(C)C1=CC=C2CCOC2=CC1
InChIInChI=1S/C12H16O/c1-9(2)10-3-4-11-7-8-13-12(11)6-5-10/h3-4,6,9H,5,7-8H2,1-2H3
InChIKeyLRGHCSSNTPDWBC-UHFFFAOYSA-N
XLogP3.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-3,7-dihydro-2H-cyclohepta[b]furan?
The IUPAC name of 6-propan-2-yl-3,7-dihydro-2H-cyclohepta[b]furan (CID 167192777) is 6-propan-2-yl-3,7-dihydro-2H-cyclohepta[b]furan.
What is the SMILES notation for 6-propan-2-yl-3,7-dihydro-2H-cyclohepta[b]furan?
The canonical SMILES for 6-propan-2-yl-3,7-dihydro-2H-cyclohepta[b]furan is CC(C)C1=CC=C2CCOC2=CC1.
What is the InChIKey of 6-propan-2-yl-3,7-dihydro-2H-cyclohepta[b]furan?
The InChIKey is LRGHCSSNTPDWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-9(2)10-3-4-11-7-8-13-12(11)6-5-10/h3-4,6,9H,5,7-8H2,1-2H3.
What are the key properties of 6-propan-2-yl-3,7-dihydro-2H-cyclohepta[b]furan?
6-propan-2-yl-3,7-dihydro-2H-cyclohepta[b]furan has a molecular weight of 176.26 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-3,7-dihydro-2H-cyclohepta[b]furan is sourced from PubChem (CID 167192777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).