6-butyl-3,4,5,6-tetrahydro-2H-cyclohepta[b]furan;ethane

C15H26O — CID 142173383

IUPAC6-butyl-3,4,5,6-tetrahydro-2H-cyclohepta[b]furan;ethane
SMILESCC.CCCCC1C=CC2=C(CCO2)CC1
InChIInChI=1S/C13H20O.C2H6/c1-2-3-4-11-5-7-12-9-10-14-13(12)8-6-11;1-2/h6,8,11H,2-5,7,9-10H2,1H3;1-2H3
InChIKeyFBUQQTUFRAPAJK-UHFFFAOYSA-N
MW222.37 g/mol
LogP4.84
Rot. Bonds3

About 6-butyl-3,4,5,6-tetrahydro-2H-cyclohepta[b]furan;ethane

6-butyl-3,4,5,6-tetrahydro-2H-cyclohepta[b]furan;ethane (PubChem CID 142173383) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 6-butyl-3,4,5,6-tetrahydro-2H-cyclohepta[b]furan;ethane.

Molecular Properties

Compound Name6-butyl-3,4,5,6-tetrahydro-2H-cyclohepta[b]furan;ethane
PubChem CID142173383
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name6-butyl-3,4,5,6-tetrahydro-2H-cyclohepta[b]furan;ethane
SMILESCC.CCCCC1C=CC2=C(CCO2)CC1
InChIInChI=1S/C13H20O.C2H6/c1-2-3-4-11-5-7-12-9-10-14-13(12)8-6-11;1-2/h6,8,11H,2-5,7,9-10H2,1H3;1-2H3
InChIKeyFBUQQTUFRAPAJK-UHFFFAOYSA-N
XLogP4.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 86012146
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CID 101358687
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1',2'-Dimethylheptyl-pyran
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(5R,8S)-6,7,8-trimethyl-1-oxaspiro[4.5]deca-2,6-diene
CID 134857918
CID 135003911
CID 135003911
(2R,4S)-4,6-dimethyl-5-(3-methylbut-3-enyl)-2-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran
CID 135075597
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CID 14805470

Frequently Asked Questions

What is the IUPAC name of 6-butyl-3,4,5,6-tetrahydro-2H-cyclohepta[b]furan;ethane?
The IUPAC name of 6-butyl-3,4,5,6-tetrahydro-2H-cyclohepta[b]furan;ethane (CID 142173383) is 6-butyl-3,4,5,6-tetrahydro-2H-cyclohepta[b]furan;ethane.
What is the SMILES notation for 6-butyl-3,4,5,6-tetrahydro-2H-cyclohepta[b]furan;ethane?
The canonical SMILES for 6-butyl-3,4,5,6-tetrahydro-2H-cyclohepta[b]furan;ethane is CC.CCCCC1C=CC2=C(CCO2)CC1.
What is the InChIKey of 6-butyl-3,4,5,6-tetrahydro-2H-cyclohepta[b]furan;ethane?
The InChIKey is FBUQQTUFRAPAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O.C2H6/c1-2-3-4-11-5-7-12-9-10-14-13(12)8-6-11;1-2/h6,8,11H,2-5,7,9-10H2,1H3;1-2H3.
What are the key properties of 6-butyl-3,4,5,6-tetrahydro-2H-cyclohepta[b]furan;ethane?
6-butyl-3,4,5,6-tetrahydro-2H-cyclohepta[b]furan;ethane has a molecular weight of 222.37 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-3,4,5,6-tetrahydro-2H-cyclohepta[b]furan;ethane is sourced from PubChem (CID 142173383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).