(4Z,10E)-4,10,14-trimethyl-7-propan-2-ylidene-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-6-one

C20H30O2 — CID 88782700

IUPAC(4Z,10E)-4,10,14-trimethyl-7-propan-2-ylidene-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-6-one
SMILESCC(C)=C1CC/C(C)=C/CCC2(C)OC2CC/C(C)=C\C1=O
InChIInChI=1S/C20H30O2/c1-14(2)17-10-8-15(3)7-6-12-20(5)19(22-20)11-9-16(4)13-18(17)21/h7,13,19H,6,8-12H2,1-5H3/b15-7+,16-13-
InChIKeyWZIQZPPDZYHYQO-JUBBJYOSSA-N
MW302.46 g/mol
LogP5.30
Rot. Bonds

About (4Z,10E)-4,10,14-trimethyl-7-propan-2-ylidene-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-6-one

(4Z,10E)-4,10,14-trimethyl-7-propan-2-ylidene-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-6-one (PubChem CID 88782700) has the molecular formula C20H30O2 and a molecular weight of 302.46 g/mol. Its IUPAC name is (4Z,10E)-4,10,14-trimethyl-7-propan-2-ylidene-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-6-one.

Molecular Properties

Compound Name(4Z,10E)-4,10,14-trimethyl-7-propan-2-ylidene-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-6-one
PubChem CID88782700
Molecular FormulaC20H30O2
Molecular Weight302.46 g/mol
Exact Mass302.22
IUPAC Name(4Z,10E)-4,10,14-trimethyl-7-propan-2-ylidene-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-6-one
SMILESCC(C)=C1CC/C(C)=C/CCC2(C)OC2CC/C(C)=C\C1=O
InChIInChI=1S/C20H30O2/c1-14(2)17-10-8-15(3)7-6-12-20(5)19(22-20)11-9-16(4)13-18(17)21/h7,13,19H,6,8-12H2,1-5H3/b15-7+,16-13-
InChIKeyWZIQZPPDZYHYQO-JUBBJYOSSA-N
XLogP5.30
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.46
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4Z,10E)-4,10,14-trimethyl-7-propan-2-ylidene-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-6-one?
The IUPAC name of (4Z,10E)-4,10,14-trimethyl-7-propan-2-ylidene-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-6-one (CID 88782700) is (4Z,10E)-4,10,14-trimethyl-7-propan-2-ylidene-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-6-one.
What is the SMILES notation for (4Z,10E)-4,10,14-trimethyl-7-propan-2-ylidene-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-6-one?
The canonical SMILES for (4Z,10E)-4,10,14-trimethyl-7-propan-2-ylidene-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-6-one is CC(C)=C1CC/C(C)=C/CCC2(C)OC2CC/C(C)=C\C1=O.
What is the InChIKey of (4Z,10E)-4,10,14-trimethyl-7-propan-2-ylidene-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-6-one?
The InChIKey is WZIQZPPDZYHYQO-JUBBJYOSSA-N. The full InChI is InChI=1S/C20H30O2/c1-14(2)17-10-8-15(3)7-6-12-20(5)19(22-20)11-9-16(4)13-18(17)21/h7,13,19H,6,8-12H2,1-5H3/b15-7+,16-13-.
What are the key properties of (4Z,10E)-4,10,14-trimethyl-7-propan-2-ylidene-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-6-one?
(4Z,10E)-4,10,14-trimethyl-7-propan-2-ylidene-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-6-one has a molecular weight of 302.46 g/mol, XLogP of 5.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,10E)-4,10,14-trimethyl-7-propan-2-ylidene-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-6-one is sourced from PubChem (CID 88782700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).