3,3-dimethyl-9-prop-2-enyl-1,5-dioxaspiro[5.5]undecan-9-ol

C14H24O3 — CID 67995672

IUPAC3,3-dimethyl-9-prop-2-enyl-1,5-dioxaspiro[5.5]undecan-9-ol
SMILESC=CCC1(O)CCC2(CC1)OCC(C)(C)CO2
InChIInChI=1S/C14H24O3/c1-4-5-13(15)6-8-14(9-7-13)16-10-12(2,3)11-17-14/h4,15H,1,5-11H2,2-3H3
InChIKeyZVZPXXDMIAHXJN-UHFFFAOYSA-N
MW240.34 g/mol
LogP2.64
Rot. Bonds2

About 3,3-dimethyl-9-prop-2-enyl-1,5-dioxaspiro[5.5]undecan-9-ol

3,3-dimethyl-9-prop-2-enyl-1,5-dioxaspiro[5.5]undecan-9-ol (PubChem CID 67995672) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is 3,3-dimethyl-9-prop-2-enyl-1,5-dioxaspiro[5.5]undecan-9-ol.

Molecular Properties

Compound Name3,3-dimethyl-9-prop-2-enyl-1,5-dioxaspiro[5.5]undecan-9-ol
PubChem CID67995672
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name3,3-dimethyl-9-prop-2-enyl-1,5-dioxaspiro[5.5]undecan-9-ol
SMILESC=CCC1(O)CCC2(CC1)OCC(C)(C)CO2
InChIInChI=1S/C14H24O3/c1-4-5-13(15)6-8-14(9-7-13)16-10-12(2,3)11-17-14/h4,15H,1,5-11H2,2-3H3
InChIKeyZVZPXXDMIAHXJN-UHFFFAOYSA-N
XLogP2.64
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,3-dimethyl-9-prop-2-enyl-1,5-dioxaspiro[5.5]undecan-9-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-9-prop-2-enyl-1,5-dioxaspiro[5.5]undecan-9-ol?
The IUPAC name of 3,3-dimethyl-9-prop-2-enyl-1,5-dioxaspiro[5.5]undecan-9-ol (CID 67995672) is 3,3-dimethyl-9-prop-2-enyl-1,5-dioxaspiro[5.5]undecan-9-ol.
What is the SMILES notation for 3,3-dimethyl-9-prop-2-enyl-1,5-dioxaspiro[5.5]undecan-9-ol?
The canonical SMILES for 3,3-dimethyl-9-prop-2-enyl-1,5-dioxaspiro[5.5]undecan-9-ol is C=CCC1(O)CCC2(CC1)OCC(C)(C)CO2.
What is the InChIKey of 3,3-dimethyl-9-prop-2-enyl-1,5-dioxaspiro[5.5]undecan-9-ol?
The InChIKey is ZVZPXXDMIAHXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-4-5-13(15)6-8-14(9-7-13)16-10-12(2,3)11-17-14/h4,15H,1,5-11H2,2-3H3.
What are the key properties of 3,3-dimethyl-9-prop-2-enyl-1,5-dioxaspiro[5.5]undecan-9-ol?
3,3-dimethyl-9-prop-2-enyl-1,5-dioxaspiro[5.5]undecan-9-ol has a molecular weight of 240.34 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-9-prop-2-enyl-1,5-dioxaspiro[5.5]undecan-9-ol is sourced from PubChem (CID 67995672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).