5-propan-2-ylcyclohepta[b]furan-2-one

C12H12O2 — CID 15082596

IUPAC5-propan-2-ylcyclohepta[b]furan-2-one
SMILESCC(C)c1cccc2oc(=O)cc-2c1
InChIInChI=1S/C12H12O2/c1-8(2)9-4-3-5-11-10(6-9)7-12(13)14-11/h3-8H,1-2H3
InChIKeyYRAGMCFEFZOYPS-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.87
Rot. Bonds1

About 5-propan-2-ylcyclohepta[b]furan-2-one

5-propan-2-ylcyclohepta[b]furan-2-one (PubChem CID 15082596) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 5-propan-2-ylcyclohepta[b]furan-2-one.

Molecular Properties

Compound Name5-propan-2-ylcyclohepta[b]furan-2-one
PubChem CID15082596
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name5-propan-2-ylcyclohepta[b]furan-2-one
SMILESCC(C)c1cccc2oc(=O)cc-2c1
InChIInChI=1S/C12H12O2/c1-8(2)9-4-3-5-11-10(6-9)7-12(13)14-11/h3-8H,1-2H3
InChIKeyYRAGMCFEFZOYPS-UHFFFAOYSA-N
XLogP2.87
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 11481458
4-Methyl-6-isobutyl-2-pyranone
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2H-Cyclohepta(b)furan-2-one
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4,6,8-Trimethyl-2H-cyclohepta(b)furan-2-one
CID 324821
Gweicurculactone
CID 130117
6-methyl-4-[(E)-pent-1-enyl]pyran-2-one
CID 12036014
4-methoxy-6-methyl-5-[(E)-pent-1-enyl]pyran-2-one
CID 44323512
5-But-2-enylidene-3-prop-1-enylfuran-2-one
CID 85817228
Marinopyrone D
CID 139585596
5-(E)-But-2-enylidene-3-(E)-propenyl-5H-furan-2-one
CID 139587167
4-methoxy-5-methyl-6-[(E,3S)-3-methylpent-1-enyl]pyran-2-one
CID 162950997
4-methoxy-5-methyl-6-[(E,3R)-3-methylpent-1-enyl]pyran-2-one
CID 163194194

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-ylcyclohepta[b]furan-2-one?
The IUPAC name of 5-propan-2-ylcyclohepta[b]furan-2-one (CID 15082596) is 5-propan-2-ylcyclohepta[b]furan-2-one.
What is the SMILES notation for 5-propan-2-ylcyclohepta[b]furan-2-one?
The canonical SMILES for 5-propan-2-ylcyclohepta[b]furan-2-one is CC(C)c1cccc2oc(=O)cc-2c1.
What is the InChIKey of 5-propan-2-ylcyclohepta[b]furan-2-one?
The InChIKey is YRAGMCFEFZOYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c1-8(2)9-4-3-5-11-10(6-9)7-12(13)14-11/h3-8H,1-2H3.
What are the key properties of 5-propan-2-ylcyclohepta[b]furan-2-one?
5-propan-2-ylcyclohepta[b]furan-2-one has a molecular weight of 188.23 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-ylcyclohepta[b]furan-2-one is sourced from PubChem (CID 15082596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).