7-propan-2-yloxybicyclo[3.2.0]hepta-3,6-dien-2-one

C10H12O2 — CID 101069563

IUPAC7-propan-2-yloxybicyclo[3.2.0]hepta-3,6-dien-2-one
SMILESCC(C)OC1=CC2C=CC(=O)C12
InChIInChI=1S/C10H12O2/c1-6(2)12-9-5-7-3-4-8(11)10(7)9/h3-7,10H,1-2H3
InChIKeyBSIOXVMQCDJCBT-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.68
Rot. Bonds2

About 7-propan-2-yloxybicyclo[3.2.0]hepta-3,6-dien-2-one

7-propan-2-yloxybicyclo[3.2.0]hepta-3,6-dien-2-one (PubChem CID 101069563) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 7-propan-2-yloxybicyclo[3.2.0]hepta-3,6-dien-2-one.

Molecular Properties

Compound Name7-propan-2-yloxybicyclo[3.2.0]hepta-3,6-dien-2-one
PubChem CID101069563
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name7-propan-2-yloxybicyclo[3.2.0]hepta-3,6-dien-2-one
SMILESCC(C)OC1=CC2C=CC(=O)C12
InChIInChI=1S/C10H12O2/c1-6(2)12-9-5-7-3-4-8(11)10(7)9/h3-7,10H,1-2H3
InChIKeyBSIOXVMQCDJCBT-UHFFFAOYSA-N
XLogP1.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Ethoxy-spiro[3.4]octa-2,6-dien-1-one
CID 21919660
(1R,5R)-7-methoxybicyclo[3.2.0]hepta-3,6-dien-2-one
CID 102577165
7-Methoxybicyclo[3.2.0]hepta-3,6-dien-2-one
CID 12936376
2,3,6-Trimethyl-2,3-dihydropyran-4-one
CID 53783191
7-Methoxy-5-propan-2-ylbicyclo[3.2.0]hepta-3,6-dien-2-one
CID 11480785
7-Ethoxybicyclo[3.2.0]hepta-3,6-dien-2-one
CID 45090853
7-(2-Methylbutoxy)bicyclo[3.2.0]hepta-3,6-dien-2-one
CID 85778934
7-[(2S)-2-methylbutoxy]bicyclo[3.2.0]hepta-3,6-dien-2-one
CID 101012189
(1S,5S)-7-methoxybicyclo[3.2.0]hepta-3,6-dien-2-one
CID 102577164
(1R,5R)-7-[(2S)-2-methylbutoxy]bicyclo[3.2.0]hepta-3,6-dien-2-one
CID 102577167
(1S,5S)-7-[(2S)-2-methylbutoxy]bicyclo[3.2.0]hepta-3,6-dien-2-one
CID 102577169
6-Chloro-7-methoxybicyclo[3.2.0]hepta-3,6-dien-2-one
CID 130028722

Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yloxybicyclo[3.2.0]hepta-3,6-dien-2-one?
The IUPAC name of 7-propan-2-yloxybicyclo[3.2.0]hepta-3,6-dien-2-one (CID 101069563) is 7-propan-2-yloxybicyclo[3.2.0]hepta-3,6-dien-2-one.
What is the SMILES notation for 7-propan-2-yloxybicyclo[3.2.0]hepta-3,6-dien-2-one?
The canonical SMILES for 7-propan-2-yloxybicyclo[3.2.0]hepta-3,6-dien-2-one is CC(C)OC1=CC2C=CC(=O)C12.
What is the InChIKey of 7-propan-2-yloxybicyclo[3.2.0]hepta-3,6-dien-2-one?
The InChIKey is BSIOXVMQCDJCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-6(2)12-9-5-7-3-4-8(11)10(7)9/h3-7,10H,1-2H3.
What are the key properties of 7-propan-2-yloxybicyclo[3.2.0]hepta-3,6-dien-2-one?
7-propan-2-yloxybicyclo[3.2.0]hepta-3,6-dien-2-one has a molecular weight of 164.20 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yloxybicyclo[3.2.0]hepta-3,6-dien-2-one is sourced from PubChem (CID 101069563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).