(6E)-8-hydroxy-4,8-dimethyl-6-prop-2-enylidenespiro[2.5]oct-4-en-7-one

C13H16O2 — CID 10465516

IUPAC(6E)-8-hydroxy-4,8-dimethyl-6-prop-2-enylidenespiro[2.5]oct-4-en-7-one
SMILESC=C/C=C1\C=C(C)C2(CC2)C(C)(O)C1=O
InChIInChI=1S/C13H16O2/c1-4-5-10-8-9(2)13(6-7-13)12(3,15)11(10)14/h4-5,8,15H,1,6-7H2,2-3H3/b10-5+
InChIKeyAVNTUXBWVZOFGI-BJMVGYQFSA-N
MW204.27 g/mol
LogP2.16
Rot. Bonds1

About (6E)-8-hydroxy-4,8-dimethyl-6-prop-2-enylidenespiro[2.5]oct-4-en-7-one

(6E)-8-hydroxy-4,8-dimethyl-6-prop-2-enylidenespiro[2.5]oct-4-en-7-one (PubChem CID 10465516) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is (6E)-8-hydroxy-4,8-dimethyl-6-prop-2-enylidenespiro[2.5]oct-4-en-7-one.

Molecular Properties

Compound Name(6E)-8-hydroxy-4,8-dimethyl-6-prop-2-enylidenespiro[2.5]oct-4-en-7-one
PubChem CID10465516
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name(6E)-8-hydroxy-4,8-dimethyl-6-prop-2-enylidenespiro[2.5]oct-4-en-7-one
SMILESC=C/C=C1\C=C(C)C2(CC2)C(C)(O)C1=O
InChIInChI=1S/C13H16O2/c1-4-5-10-8-9(2)13(6-7-13)12(3,15)11(10)14/h4-5,8,15H,1,6-7H2,2-3H3/b10-5+
InChIKeyAVNTUXBWVZOFGI-BJMVGYQFSA-N
XLogP2.16
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6E)-8-hydroxy-4,8-dimethyl-6-prop-2-enylidenespiro[2.5]oct-4-en-7-one?
The IUPAC name of (6E)-8-hydroxy-4,8-dimethyl-6-prop-2-enylidenespiro[2.5]oct-4-en-7-one (CID 10465516) is (6E)-8-hydroxy-4,8-dimethyl-6-prop-2-enylidenespiro[2.5]oct-4-en-7-one.
What is the SMILES notation for (6E)-8-hydroxy-4,8-dimethyl-6-prop-2-enylidenespiro[2.5]oct-4-en-7-one?
The canonical SMILES for (6E)-8-hydroxy-4,8-dimethyl-6-prop-2-enylidenespiro[2.5]oct-4-en-7-one is C=C/C=C1\C=C(C)C2(CC2)C(C)(O)C1=O.
What is the InChIKey of (6E)-8-hydroxy-4,8-dimethyl-6-prop-2-enylidenespiro[2.5]oct-4-en-7-one?
The InChIKey is AVNTUXBWVZOFGI-BJMVGYQFSA-N. The full InChI is InChI=1S/C13H16O2/c1-4-5-10-8-9(2)13(6-7-13)12(3,15)11(10)14/h4-5,8,15H,1,6-7H2,2-3H3/b10-5+.
What are the key properties of (6E)-8-hydroxy-4,8-dimethyl-6-prop-2-enylidenespiro[2.5]oct-4-en-7-one?
(6E)-8-hydroxy-4,8-dimethyl-6-prop-2-enylidenespiro[2.5]oct-4-en-7-one has a molecular weight of 204.27 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-8-hydroxy-4,8-dimethyl-6-prop-2-enylidenespiro[2.5]oct-4-en-7-one is sourced from PubChem (CID 10465516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).