4,8,8-trimethyl-4-prop-2-enyl-6,10-dioxaspiro[4.5]decan-3-one

C14H22O3 — CID 11053710

IUPAC4,8,8-trimethyl-4-prop-2-enyl-6,10-dioxaspiro[4.5]decan-3-one
SMILESC=CCC1(C)C(=O)CCC12OCC(C)(C)CO2
InChIInChI=1S/C14H22O3/c1-5-7-13(4)11(15)6-8-14(13)16-9-12(2,3)10-17-14/h5H,1,6-10H2,2-4H3
InChIKeyUZJFAKPZXUDIES-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.70
Rot. Bonds2

About 4,8,8-trimethyl-4-prop-2-enyl-6,10-dioxaspiro[4.5]decan-3-one

4,8,8-trimethyl-4-prop-2-enyl-6,10-dioxaspiro[4.5]decan-3-one (PubChem CID 11053710) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 4,8,8-trimethyl-4-prop-2-enyl-6,10-dioxaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name4,8,8-trimethyl-4-prop-2-enyl-6,10-dioxaspiro[4.5]decan-3-one
PubChem CID11053710
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name4,8,8-trimethyl-4-prop-2-enyl-6,10-dioxaspiro[4.5]decan-3-one
SMILESC=CCC1(C)C(=O)CCC12OCC(C)(C)CO2
InChIInChI=1S/C14H22O3/c1-5-7-13(4)11(15)6-8-14(13)16-9-12(2,3)10-17-14/h5H,1,6-10H2,2-4H3
InChIKeyUZJFAKPZXUDIES-UHFFFAOYSA-N
XLogP2.70
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-6,6-dimethyl-2-prop-2-enyl-4,8-dioxaspiro[2.5]octan-2-yl]-trimethylstannane
CID 11405224
(7R)-7-methyl-7-prop-2-enyloxepan-2-one
CID 146173300
3,3-dimethyl-9-prop-2-enyl-1,5-dioxaspiro[5.5]undecan-9-ol
CID 67995672
methyl (E)-4-[(6S)-6-methyl-7-oxo-1,4-dioxaspiro[4.5]decan-6-yl]but-2-enoate
CID 135018994
3-methyl-3-prop-2-enylcyclopentan-1-one
CID 10034694
ethyl (1'R,3'aR,6'aR)-5,5-dimethyl-2'-oxo-1'-prop-2-enylspiro[1,3-dioxane-2,4'-3a,5,6,6a-tetrahydro-3H-pentalene]-1'-carboxylate
CID 25131457
2-prop-2-enyl-2-(trifluoromethyl)cyclohexan-1-one
CID 24749464
3-methyl-3-[(E)-2-(3,3,9,11,11-pentamethyl-1,5-dioxaspiro[5.5]undec-9-en-10-yl)ethenyl]cyclohexan-1-one
CID 11111187
3-ethenyl-4-methyl-4-prop-2-enylcyclohex-2-en-1-one
CID 14525737
cis-(2S,3S)-2-methyl-3-propan-2-yl-2-prop-2-enylcyclopentan-1-one
CID 11171336
methyl 3,3,11,11-tetramethyl-9-methylidene-1,5-dioxaspiro[5.5]undecane-10-carboxylate
CID 102007340
2-fluoro-2-prop-2-enylcyclododecan-1-one
CID 14342872

Frequently Asked Questions

What is the IUPAC name of 4,8,8-trimethyl-4-prop-2-enyl-6,10-dioxaspiro[4.5]decan-3-one?
The IUPAC name of 4,8,8-trimethyl-4-prop-2-enyl-6,10-dioxaspiro[4.5]decan-3-one (CID 11053710) is 4,8,8-trimethyl-4-prop-2-enyl-6,10-dioxaspiro[4.5]decan-3-one.
What is the SMILES notation for 4,8,8-trimethyl-4-prop-2-enyl-6,10-dioxaspiro[4.5]decan-3-one?
The canonical SMILES for 4,8,8-trimethyl-4-prop-2-enyl-6,10-dioxaspiro[4.5]decan-3-one is C=CCC1(C)C(=O)CCC12OCC(C)(C)CO2.
What is the InChIKey of 4,8,8-trimethyl-4-prop-2-enyl-6,10-dioxaspiro[4.5]decan-3-one?
The InChIKey is UZJFAKPZXUDIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-5-7-13(4)11(15)6-8-14(13)16-9-12(2,3)10-17-14/h5H,1,6-10H2,2-4H3.
What are the key properties of 4,8,8-trimethyl-4-prop-2-enyl-6,10-dioxaspiro[4.5]decan-3-one?
4,8,8-trimethyl-4-prop-2-enyl-6,10-dioxaspiro[4.5]decan-3-one has a molecular weight of 238.33 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8,8-trimethyl-4-prop-2-enyl-6,10-dioxaspiro[4.5]decan-3-one is sourced from PubChem (CID 11053710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).