(8S,9S)-9-methyl-8-prop-1-en-2-yl-6,7,10-trioxaspiro[4.5]decane

C11H18O3 — CID 124653675

IUPAC(8S,9S)-9-methyl-8-prop-1-en-2-yl-6,7,10-trioxaspiro[4.5]decane
SMILESC=C(C)[C@@H]1OOC2(CCCC2)O[C@H]1C
InChIInChI=1S/C11H18O3/c1-8(2)10-9(3)12-11(14-13-10)6-4-5-7-11/h9-10H,1,4-7H2,2-3H3/t9-,10-/m0/s1
InChIKeyHYBAHXSDHMRLLL-UWVGGRQHSA-N
MW198.26 g/mol
LogP2.57
Rot. Bonds1

About (8S,9S)-9-methyl-8-prop-1-en-2-yl-6,7,10-trioxaspiro[4.5]decane

(8S,9S)-9-methyl-8-prop-1-en-2-yl-6,7,10-trioxaspiro[4.5]decane (PubChem CID 124653675) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is (8S,9S)-9-methyl-8-prop-1-en-2-yl-6,7,10-trioxaspiro[4.5]decane.

Molecular Properties

Compound Name(8S,9S)-9-methyl-8-prop-1-en-2-yl-6,7,10-trioxaspiro[4.5]decane
PubChem CID124653675
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name(8S,9S)-9-methyl-8-prop-1-en-2-yl-6,7,10-trioxaspiro[4.5]decane
SMILESC=C(C)[C@@H]1OOC2(CCCC2)O[C@H]1C
InChIInChI=1S/C11H18O3/c1-8(2)10-9(3)12-11(14-13-10)6-4-5-7-11/h9-10H,1,4-7H2,2-3H3/t9-,10-/m0/s1
InChIKeyHYBAHXSDHMRLLL-UWVGGRQHSA-N
XLogP2.57
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (8S,9S)-9-methyl-8-prop-1-en-2-yl-6,7,10-trioxaspiro[4.5]decane 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

(9S)-9-propan-2-yl-8-prop-1-en-2-yl-6,7,10-trioxaspiro[4.5]decane
CID 44391125
(9S)-9-tert-butyl-8-prop-1-en-2-yl-6,7,10-trioxaspiro[4.5]decane
CID 44391139
(4S)-4-methyl-3-prop-1-en-2-yl-1,2,5-trioxaspiro[5.5]undecane
CID 44391140
(5S)-3,3,5-trimethyl-6-prop-1-en-2-yl-1,2,4-trioxane
CID 44391120
(5R,6R)-3,3-diethyl-5-methyl-6-prop-1-en-2-yl-1,2,4-trioxane
CID 10987268
(8R,9R)-9-methyl-8-prop-1-en-2-yl-6,7,10-trioxaspiro[4.5]decane
CID 11745613
3,3,5-Trimethyl-6-prop-1-en-2-yl-1,2,4-trioxane
CID 75009606
(5R,6R)-3,3,5-trimethyl-6-prop-1-en-2-yl-1,2,4-trioxane
CID 101224202
(3R,4R)-4-methyl-3-prop-1-en-2-yl-1,2,5-trioxaspiro[5.5]undecane
CID 101224203
(5R,6R)-3-ethyl-5-methyl-6-prop-1-en-2-yl-1,2,4-trioxane
CID 134992685
(5R,6R)-3,5-dimethyl-6-prop-1-en-2-yl-1,2,4-trioxane
CID 134992785
(4S)-2,2-dimethyl-4-(2-methylprop-2-enyl)-1,3-dioxolane
CID 88982827

Frequently Asked Questions

What is the IUPAC name of (8S,9S)-9-methyl-8-prop-1-en-2-yl-6,7,10-trioxaspiro[4.5]decane?
The IUPAC name of (8S,9S)-9-methyl-8-prop-1-en-2-yl-6,7,10-trioxaspiro[4.5]decane (CID 124653675) is (8S,9S)-9-methyl-8-prop-1-en-2-yl-6,7,10-trioxaspiro[4.5]decane.
What is the SMILES notation for (8S,9S)-9-methyl-8-prop-1-en-2-yl-6,7,10-trioxaspiro[4.5]decane?
The canonical SMILES for (8S,9S)-9-methyl-8-prop-1-en-2-yl-6,7,10-trioxaspiro[4.5]decane is C=C(C)[C@@H]1OOC2(CCCC2)O[C@H]1C.
What is the InChIKey of (8S,9S)-9-methyl-8-prop-1-en-2-yl-6,7,10-trioxaspiro[4.5]decane?
The InChIKey is HYBAHXSDHMRLLL-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H18O3/c1-8(2)10-9(3)12-11(14-13-10)6-4-5-7-11/h9-10H,1,4-7H2,2-3H3/t9-,10-/m0/s1.
What are the key properties of (8S,9S)-9-methyl-8-prop-1-en-2-yl-6,7,10-trioxaspiro[4.5]decane?
(8S,9S)-9-methyl-8-prop-1-en-2-yl-6,7,10-trioxaspiro[4.5]decane has a molecular weight of 198.26 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8S,9S)-9-methyl-8-prop-1-en-2-yl-6,7,10-trioxaspiro[4.5]decane is sourced from PubChem (CID 124653675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).