(3Z)-2,2-ditert-butyl-3-ethylidene-5,8-dioxaspiro[3.4]octane

C16H28O2 — CID 167289402

IUPAC(3Z)-2,2-ditert-butyl-3-ethylidene-5,8-dioxaspiro[3.4]octane
SMILESC/C=C1\C2(CC1(C(C)(C)C)C(C)(C)C)OCCO2
InChIInChI=1S/C16H28O2/c1-8-12-15(13(2,3)4,14(5,6)7)11-16(12)17-9-10-18-16/h8H,9-11H2,1-7H3/b12-8-
InChIKeyHSZQWBPUCVRVHY-WQLSENKSSA-N
MW252.40 g/mol
LogP4.16
Rot. Bonds

About (3Z)-2,2-ditert-butyl-3-ethylidene-5,8-dioxaspiro[3.4]octane

(3Z)-2,2-ditert-butyl-3-ethylidene-5,8-dioxaspiro[3.4]octane (PubChem CID 167289402) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is (3Z)-2,2-ditert-butyl-3-ethylidene-5,8-dioxaspiro[3.4]octane.

Molecular Properties

Compound Name(3Z)-2,2-ditert-butyl-3-ethylidene-5,8-dioxaspiro[3.4]octane
PubChem CID167289402
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name(3Z)-2,2-ditert-butyl-3-ethylidene-5,8-dioxaspiro[3.4]octane
SMILESC/C=C1\C2(CC1(C(C)(C)C)C(C)(C)C)OCCO2
InChIInChI=1S/C16H28O2/c1-8-12-15(13(2,3)4,14(5,6)7)11-16(12)17-9-10-18-16/h8H,9-11H2,1-7H3/b12-8-
InChIKeyHSZQWBPUCVRVHY-WQLSENKSSA-N
XLogP4.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (3Z)-2,2-ditert-butyl-3-ethylidene-5,8-dioxaspiro[3.4]octane?
The IUPAC name of (3Z)-2,2-ditert-butyl-3-ethylidene-5,8-dioxaspiro[3.4]octane (CID 167289402) is (3Z)-2,2-ditert-butyl-3-ethylidene-5,8-dioxaspiro[3.4]octane.
What is the SMILES notation for (3Z)-2,2-ditert-butyl-3-ethylidene-5,8-dioxaspiro[3.4]octane?
The canonical SMILES for (3Z)-2,2-ditert-butyl-3-ethylidene-5,8-dioxaspiro[3.4]octane is C/C=C1\C2(CC1(C(C)(C)C)C(C)(C)C)OCCO2.
What is the InChIKey of (3Z)-2,2-ditert-butyl-3-ethylidene-5,8-dioxaspiro[3.4]octane?
The InChIKey is HSZQWBPUCVRVHY-WQLSENKSSA-N. The full InChI is InChI=1S/C16H28O2/c1-8-12-15(13(2,3)4,14(5,6)7)11-16(12)17-9-10-18-16/h8H,9-11H2,1-7H3/b12-8-.
What are the key properties of (3Z)-2,2-ditert-butyl-3-ethylidene-5,8-dioxaspiro[3.4]octane?
(3Z)-2,2-ditert-butyl-3-ethylidene-5,8-dioxaspiro[3.4]octane has a molecular weight of 252.40 g/mol, XLogP of 4.16, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2,2-ditert-butyl-3-ethylidene-5,8-dioxaspiro[3.4]octane is sourced from PubChem (CID 167289402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).