7,9,9-trimethyl-8-propyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol

C14H24O3 — CID 14759594

IUPAC7,9,9-trimethyl-8-propyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol
SMILESCCCC1(O)C(C)=CC2(CC1(C)C)OCCO2
InChIInChI=1S/C14H24O3/c1-5-6-14(15)11(2)9-13(10-12(14,3)4)16-7-8-17-13/h9,15H,5-8,10H2,1-4H3
InChIKeyHFRMZEZNAALKDV-UHFFFAOYSA-N
MW240.34 g/mol
LogP2.64
Rot. Bonds2

About 7,9,9-trimethyl-8-propyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol

7,9,9-trimethyl-8-propyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol (PubChem CID 14759594) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is 7,9,9-trimethyl-8-propyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol.

Molecular Properties

Compound Name7,9,9-trimethyl-8-propyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol
PubChem CID14759594
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name7,9,9-trimethyl-8-propyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol
SMILESCCCC1(O)C(C)=CC2(CC1(C)C)OCCO2
InChIInChI=1S/C14H24O3/c1-5-6-14(15)11(2)9-13(10-12(14,3)4)16-7-8-17-13/h9,15H,5-8,10H2,1-4H3
InChIKeyHFRMZEZNAALKDV-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 7,9,9-trimethyl-8-propyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol with MolForge

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

Launch Full Analysis

Related Compounds

2,6,10,10-Tetramethyl-1-oxaspiro[4.5]dec-6-en-8-ol
CID 71339001
Riesling acetal
CID 57473083
2-(1,4-Dioxaspiro[4.5]dec-6-en-6-yl)propan-2-ol
CID 101702211
3,5,5-Trimethyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethenyl]cyclohex-2-en-1-ol
CID 70371690
2,3,7,9-tetramethyl-8-[(E)-2-(tributylstannyl)vinyl]-9-(trifluoromethyl)-1,4-dioxaspiro[4.5]dec-6-en-8-ol
CID 70873452
2,3,7,9-Tetramethyl-8-(2-tributylstannylethenyl)-9-(trifluoromethyl)-1,4-dioxaspiro[4.5]dec-6-en-8-ol
CID 77935707
8-Ethynyl-2,3,7,9-tetramethyl-9-(trifluoromethyl)-1,4-dioxaspiro[4.5]dec-6-en-8-ol
CID 86712502
8-Ethynyl-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol
CID 11264535
7,8,9,9-Tetramethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol
CID 14759592
8-Ethyl-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol
CID 14759593
7,9,9-Trimethyl-8-propan-2-yl-1,4-dioxaspiro[4.5]dec-6-en-8-ol
CID 85732284
(2S,3S,8R)-8-ethynyl-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol
CID 11991157

Frequently Asked Questions

What is the IUPAC name of 7,9,9-trimethyl-8-propyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol?
The IUPAC name of 7,9,9-trimethyl-8-propyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol (CID 14759594) is 7,9,9-trimethyl-8-propyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol.
What is the SMILES notation for 7,9,9-trimethyl-8-propyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol?
The canonical SMILES for 7,9,9-trimethyl-8-propyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol is CCCC1(O)C(C)=CC2(CC1(C)C)OCCO2.
What is the InChIKey of 7,9,9-trimethyl-8-propyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol?
The InChIKey is HFRMZEZNAALKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-5-6-14(15)11(2)9-13(10-12(14,3)4)16-7-8-17-13/h9,15H,5-8,10H2,1-4H3.
What are the key properties of 7,9,9-trimethyl-8-propyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol?
7,9,9-trimethyl-8-propyl-1,4-dioxaspiro[4.5]dec-6-en-8-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 7,9,9-trimethyl-8-propyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol is sourced from PubChem (CID 14759594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).