(3-cyclopenta-2,4-dien-1-ylcyclohepta-1,4,6-trien-1-yl) acetate

C14H14O2 — CID 134888041

IUPAC(3-cyclopenta-2,4-dien-1-ylcyclohepta-1,4,6-trien-1-yl) acetate
SMILESCC(=O)OC1=CC(C2C=CC=C2)C=CC=C1
InChIInChI=1S/C14H14O2/c1-11(15)16-14-9-5-4-8-13(10-14)12-6-2-3-7-12/h2-10,12-13H,1H3
InChIKeyYPZSFFWPERWJBY-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.92
Rot. Bonds2

About (3-cyclopenta-2,4-dien-1-ylcyclohepta-1,4,6-trien-1-yl) acetate

(3-cyclopenta-2,4-dien-1-ylcyclohepta-1,4,6-trien-1-yl) acetate (PubChem CID 134888041) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is (3-cyclopenta-2,4-dien-1-ylcyclohepta-1,4,6-trien-1-yl) acetate.

Molecular Properties

Compound Name(3-cyclopenta-2,4-dien-1-ylcyclohepta-1,4,6-trien-1-yl) acetate
PubChem CID134888041
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name(3-cyclopenta-2,4-dien-1-ylcyclohepta-1,4,6-trien-1-yl) acetate
SMILESCC(=O)OC1=CC(C2C=CC=C2)C=CC=C1
InChIInChI=1S/C14H14O2/c1-11(15)16-14-9-5-4-8-13(10-14)12-6-2-3-7-12/h2-10,12-13H,1H3
InChIKeyYPZSFFWPERWJBY-UHFFFAOYSA-N
XLogP2.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4a,8a-dihydronaphthalene-2-carbaldehyde
CID 45083972
(1-oxo-3,8a-dihydro-2H-azulen-5-yl) acetate
CID 13123033
1-[(1S,6R)-9-bicyclo[4.2.1]nona-2,4,7-trienyl]ethanone
CID 15577447
[(1R,6R)-6-acetyloxycyclohexa-2,4-dien-1-yl] acetate
CID 12651509
(2-acetyloxy-3,6-dioxocyclohexa-1,4-dien-1-yl) acetate
CID 139619204
2H-pyran-5-yl acetate
CID 56621137
(3-oxo-2-azabicyclo[2.2.0]hex-5-en-5-yl) acetate
CID 13163113
thiazepin-3-yl acetate
CID 118366653
(3-oxocyclohexa-1,5-dien-1-yl) acetate
CID 18977842
(4-ethyl-4-formylcyclohexa-1,5-dien-1-yl) acetate
CID 143004677
1-(6-methylidenecyclohexa-2,4-dien-1-yl)ethanone
CID 130027554
3-hydroxy-4a,8a-dihydronaphthalene-2-carboxylic acid
CID 89077052

Frequently Asked Questions

What is the IUPAC name of (3-cyclopenta-2,4-dien-1-ylcyclohepta-1,4,6-trien-1-yl) acetate?
The IUPAC name of (3-cyclopenta-2,4-dien-1-ylcyclohepta-1,4,6-trien-1-yl) acetate (CID 134888041) is (3-cyclopenta-2,4-dien-1-ylcyclohepta-1,4,6-trien-1-yl) acetate.
What is the SMILES notation for (3-cyclopenta-2,4-dien-1-ylcyclohepta-1,4,6-trien-1-yl) acetate?
The canonical SMILES for (3-cyclopenta-2,4-dien-1-ylcyclohepta-1,4,6-trien-1-yl) acetate is CC(=O)OC1=CC(C2C=CC=C2)C=CC=C1.
What is the InChIKey of (3-cyclopenta-2,4-dien-1-ylcyclohepta-1,4,6-trien-1-yl) acetate?
The InChIKey is YPZSFFWPERWJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2/c1-11(15)16-14-9-5-4-8-13(10-14)12-6-2-3-7-12/h2-10,12-13H,1H3.
What are the key properties of (3-cyclopenta-2,4-dien-1-ylcyclohepta-1,4,6-trien-1-yl) acetate?
(3-cyclopenta-2,4-dien-1-ylcyclohepta-1,4,6-trien-1-yl) acetate has a molecular weight of 214.26 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopenta-2,4-dien-1-ylcyclohepta-1,4,6-trien-1-yl) acetate is sourced from PubChem (CID 134888041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).