(2Z,4Z,7Z)-cycloocta-2,4,7-trien-1-one

C8H8O — CID 12924509

IUPAC(2Z,4Z,7Z)-cycloocta-2,4,7-trien-1-one
SMILESO=C1/C=C\C=C/C/C=C\1
InChIInChI=1S/C8H8O/c9-8-6-4-2-1-3-5-7-8/h1-2,4-7H,3H2/b2-1-,6-4-,7-5-
InChIKeyAOJULLONVARWBB-YPCDKYBPSA-N
MW120.15 g/mol
LogP1.63
Rot. Bonds

About (2Z,4Z,7Z)-cycloocta-2,4,7-trien-1-one

(2Z,4Z,7Z)-cycloocta-2,4,7-trien-1-one (PubChem CID 12924509) has the molecular formula C8H8O and a molecular weight of 120.15 g/mol. Its IUPAC name is (2Z,4Z,7Z)-cycloocta-2,4,7-trien-1-one.

Molecular Properties

Compound Name(2Z,4Z,7Z)-cycloocta-2,4,7-trien-1-one
PubChem CID12924509
Molecular FormulaC8H8O
Molecular Weight120.15 g/mol
Exact Mass120.06
IUPAC Name(2Z,4Z,7Z)-cycloocta-2,4,7-trien-1-one
SMILESO=C1/C=C\C=C/C/C=C\1
InChIInChI=1S/C8H8O/c9-8-6-4-2-1-3-5-7-8/h1-2,4-7H,3H2/b2-1-,6-4-,7-5-
InChIKeyAOJULLONVARWBB-YPCDKYBPSA-N
XLogP1.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2Z,4Z,7Z)-cycloocta-2,4,7-trien-1-one?
The IUPAC name of (2Z,4Z,7Z)-cycloocta-2,4,7-trien-1-one (CID 12924509) is (2Z,4Z,7Z)-cycloocta-2,4,7-trien-1-one.
What is the SMILES notation for (2Z,4Z,7Z)-cycloocta-2,4,7-trien-1-one?
The canonical SMILES for (2Z,4Z,7Z)-cycloocta-2,4,7-trien-1-one is O=C1/C=C\C=C/C/C=C\1.
What is the InChIKey of (2Z,4Z,7Z)-cycloocta-2,4,7-trien-1-one?
The InChIKey is AOJULLONVARWBB-YPCDKYBPSA-N. The full InChI is InChI=1S/C8H8O/c9-8-6-4-2-1-3-5-7-8/h1-2,4-7H,3H2/b2-1-,6-4-,7-5-.
What are the key properties of (2Z,4Z,7Z)-cycloocta-2,4,7-trien-1-one?
(2Z,4Z,7Z)-cycloocta-2,4,7-trien-1-one has a molecular weight of 120.15 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z,7Z)-cycloocta-2,4,7-trien-1-one is sourced from PubChem (CID 12924509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).