4,5,6,7,8-pentamethylcyclohepta[b]furan-2-one

C14H16O2 — CID 15486674

IUPAC4,5,6,7,8-pentamethylcyclohepta[b]furan-2-one
SMILESCc1c2cc(=O)oc-2c(C)c(C)c(C)c1C
InChIInChI=1S/C14H16O2/c1-7-8(2)10(4)12-6-13(15)16-14(12)11(5)9(7)3/h6H,1-5H3
InChIKeyJYKHMXVLVYTELQ-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.29
Rot. Bonds

About 4,5,6,7,8-pentamethylcyclohepta[b]furan-2-one

4,5,6,7,8-pentamethylcyclohepta[b]furan-2-one (PubChem CID 15486674) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 4,5,6,7,8-pentamethylcyclohepta[b]furan-2-one.

Molecular Properties

Compound Name4,5,6,7,8-pentamethylcyclohepta[b]furan-2-one
PubChem CID15486674
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name4,5,6,7,8-pentamethylcyclohepta[b]furan-2-one
SMILESCc1c2cc(=O)oc-2c(C)c(C)c(C)c1C
InChIInChI=1S/C14H16O2/c1-7-8(2)10(4)12-6-13(15)16-14(12)11(5)9(7)3/h6H,1-5H3
InChIKeyJYKHMXVLVYTELQ-UHFFFAOYSA-N
XLogP3.29
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7,8-pentamethylcyclohepta[b]furan-2-one?
The IUPAC name of 4,5,6,7,8-pentamethylcyclohepta[b]furan-2-one (CID 15486674) is 4,5,6,7,8-pentamethylcyclohepta[b]furan-2-one.
What is the SMILES notation for 4,5,6,7,8-pentamethylcyclohepta[b]furan-2-one?
The canonical SMILES for 4,5,6,7,8-pentamethylcyclohepta[b]furan-2-one is Cc1c2cc(=O)oc-2c(C)c(C)c(C)c1C.
What is the InChIKey of 4,5,6,7,8-pentamethylcyclohepta[b]furan-2-one?
The InChIKey is JYKHMXVLVYTELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-7-8(2)10(4)12-6-13(15)16-14(12)11(5)9(7)3/h6H,1-5H3.
What are the key properties of 4,5,6,7,8-pentamethylcyclohepta[b]furan-2-one?
4,5,6,7,8-pentamethylcyclohepta[b]furan-2-one has a molecular weight of 216.28 g/mol, XLogP of 3.29, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7,8-pentamethylcyclohepta[b]furan-2-one is sourced from PubChem (CID 15486674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).