(3'Z)-4'-methylspiro[1,3-dioxolane-2,9'-tricyclo[5.4.3.01,8]tetradec-3-ene]-6'-one

C17H24O3 — CID 58048663

IUPAC(3'Z)-4'-methylspiro[1,3-dioxolane-2,9'-tricyclo[5.4.3.01,8]tetradec-3-ene]-6'-one
SMILESC/C1=C/CC23CCCC(C(=O)C1)C2C1(CC3)OCCO1
InChIInChI=1S/C17H24O3/c1-12-4-6-16-5-2-3-13(14(18)11-12)15(16)17(8-7-16)19-9-10-20-17/h4,13,15H,2-3,5-11H2,1H3/b12-4-
InChIKeyKUENEASIEGDJAH-QCDXTXTGSA-N
MW276.38 g/mol
LogP3.24
Rot. Bonds

About (3'Z)-4'-methylspiro[1,3-dioxolane-2,9'-tricyclo[5.4.3.01,8]tetradec-3-ene]-6'-one

(3'Z)-4'-methylspiro[1,3-dioxolane-2,9'-tricyclo[5.4.3.01,8]tetradec-3-ene]-6'-one (PubChem CID 58048663) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is (3'Z)-4'-methylspiro[1,3-dioxolane-2,9'-tricyclo[5.4.3.01,8]tetradec-3-ene]-6'-one.

Molecular Properties

Compound Name(3'Z)-4'-methylspiro[1,3-dioxolane-2,9'-tricyclo[5.4.3.01,8]tetradec-3-ene]-6'-one
PubChem CID58048663
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Name(3'Z)-4'-methylspiro[1,3-dioxolane-2,9'-tricyclo[5.4.3.01,8]tetradec-3-ene]-6'-one
SMILESC/C1=C/CC23CCCC(C(=O)C1)C2C1(CC3)OCCO1
InChIInChI=1S/C17H24O3/c1-12-4-6-16-5-2-3-13(14(18)11-12)15(16)17(8-7-16)19-9-10-20-17/h4,13,15H,2-3,5-11H2,1H3/b12-4-
InChIKeyKUENEASIEGDJAH-QCDXTXTGSA-N
XLogP3.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3'Z)-4'-methylspiro[1,3-dioxolane-2,9'-tricyclo[5.4.3.01,8]tetradec-3-ene]-6'-one?
The IUPAC name of (3'Z)-4'-methylspiro[1,3-dioxolane-2,9'-tricyclo[5.4.3.01,8]tetradec-3-ene]-6'-one (CID 58048663) is (3'Z)-4'-methylspiro[1,3-dioxolane-2,9'-tricyclo[5.4.3.01,8]tetradec-3-ene]-6'-one.
What is the SMILES notation for (3'Z)-4'-methylspiro[1,3-dioxolane-2,9'-tricyclo[5.4.3.01,8]tetradec-3-ene]-6'-one?
The canonical SMILES for (3'Z)-4'-methylspiro[1,3-dioxolane-2,9'-tricyclo[5.4.3.01,8]tetradec-3-ene]-6'-one is C/C1=C/CC23CCCC(C(=O)C1)C2C1(CC3)OCCO1.
What is the InChIKey of (3'Z)-4'-methylspiro[1,3-dioxolane-2,9'-tricyclo[5.4.3.01,8]tetradec-3-ene]-6'-one?
The InChIKey is KUENEASIEGDJAH-QCDXTXTGSA-N. The full InChI is InChI=1S/C17H24O3/c1-12-4-6-16-5-2-3-13(14(18)11-12)15(16)17(8-7-16)19-9-10-20-17/h4,13,15H,2-3,5-11H2,1H3/b12-4-.
What are the key properties of (3'Z)-4'-methylspiro[1,3-dioxolane-2,9'-tricyclo[5.4.3.01,8]tetradec-3-ene]-6'-one?
(3'Z)-4'-methylspiro[1,3-dioxolane-2,9'-tricyclo[5.4.3.01,8]tetradec-3-ene]-6'-one has a molecular weight of 276.38 g/mol, XLogP of 3.24, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3'Z)-4'-methylspiro[1,3-dioxolane-2,9'-tricyclo[5.4.3.01,8]tetradec-3-ene]-6'-one is sourced from PubChem (CID 58048663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).