(2S,3S)-2,3,8,8-tetramethyl-3-[(E)-prop-1-enyl]-6,10-dioxaspiro[4.5]decane

C15H26O2 — CID 101234485

IUPAC(2S,3S)-2,3,8,8-tetramethyl-3-[(E)-prop-1-enyl]-6,10-dioxaspiro[4.5]decane
SMILESC/C=C/[C@@]1(C)CC2(C[C@@H]1C)OCC(C)(C)CO2
InChIInChI=1S/C15H26O2/c1-6-7-14(5)9-15(8-12(14)2)16-10-13(3,4)11-17-15/h6-7,12H,8-11H2,1-5H3/b7-6+/t12-,14-/m0/s1
InChIKeyRFKRNYDOIRXTAC-UTTOWCGFSA-N
MW238.37 g/mol
LogP3.77
Rot. Bonds1

About (2S,3S)-2,3,8,8-tetramethyl-3-[(E)-prop-1-enyl]-6,10-dioxaspiro[4.5]decane

(2S,3S)-2,3,8,8-tetramethyl-3-[(E)-prop-1-enyl]-6,10-dioxaspiro[4.5]decane (PubChem CID 101234485) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (2S,3S)-2,3,8,8-tetramethyl-3-[(E)-prop-1-enyl]-6,10-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name(2S,3S)-2,3,8,8-tetramethyl-3-[(E)-prop-1-enyl]-6,10-dioxaspiro[4.5]decane
PubChem CID101234485
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(2S,3S)-2,3,8,8-tetramethyl-3-[(E)-prop-1-enyl]-6,10-dioxaspiro[4.5]decane
SMILESC/C=C/[C@@]1(C)CC2(C[C@@H]1C)OCC(C)(C)CO2
InChIInChI=1S/C15H26O2/c1-6-7-14(5)9-15(8-12(14)2)16-10-13(3,4)11-17-15/h6-7,12H,8-11H2,1-5H3/b7-6+/t12-,14-/m0/s1
InChIKeyRFKRNYDOIRXTAC-UTTOWCGFSA-N
XLogP3.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3'aS,6'aR)-5,5-dimethylspiro[1,3-dioxane-2,2'-3,3a,4,6a-tetrahydro-1H-pentalene]
CID 90682012
(3'aR,4'S,6'aS)-4',5,5-trimethylspiro[1,3-dioxane-2,2'-3,3a,4,6a-tetrahydro-1H-pentalene]
CID 71606812
(1'R)-2,2-dimethyl-6'-methylidenespiro[1,3-dioxane-5,5'-bicyclo[2.2.1]hept-2-ene]
CID 134857329
2,2-Dimethylspiro[1,3-dioxane-5,5'-bicyclo[2.2.1]hept-2-ene]
CID 134895169
(3'aS,6'aR)-5,5-dimethylspiro[1,3-dioxane-2,3'-2,3a,4,6a-tetrahydro-1H-pentalene]
CID 162410386
9,11,13-Trimethyl-6,15-dioxadispiro[4.2.5^{8}.2^{5}]pentadec-11-ene
CID 2855764
5-Butan-2-yl-2-(3,5-dimethylcyclohex-3-en-1-yl)-2,5-dimethyl-1,3-dioxane
CID 19803356
2-(3,5-Dimethylcyclohex-3-en-1-yl)-2,5-dimethyl-5-propyl-1,3-dioxane
CID 19803370
2-(2,4-Dimethylcyclohex-3-en-1-yl)-2,5-dimethyl-5-propyl-1,3-dioxane
CID 19803380
3,3,11-Trimethyl-2,4-dioxaspiro[5.5]undec-8-ene
CID 20307640
6,15-Dioxadispiro[4.2.58.25]pentadec-11-ene
CID 20307641
2-Tert-butyl-2-(3,5-dimethylcyclohex-3-en-1-yl)-5-methyl-1,3-dioxane
CID 57041390

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2,3,8,8-tetramethyl-3-[(E)-prop-1-enyl]-6,10-dioxaspiro[4.5]decane?
The IUPAC name of (2S,3S)-2,3,8,8-tetramethyl-3-[(E)-prop-1-enyl]-6,10-dioxaspiro[4.5]decane (CID 101234485) is (2S,3S)-2,3,8,8-tetramethyl-3-[(E)-prop-1-enyl]-6,10-dioxaspiro[4.5]decane.
What is the SMILES notation for (2S,3S)-2,3,8,8-tetramethyl-3-[(E)-prop-1-enyl]-6,10-dioxaspiro[4.5]decane?
The canonical SMILES for (2S,3S)-2,3,8,8-tetramethyl-3-[(E)-prop-1-enyl]-6,10-dioxaspiro[4.5]decane is C/C=C/[C@@]1(C)CC2(C[C@@H]1C)OCC(C)(C)CO2.
What is the InChIKey of (2S,3S)-2,3,8,8-tetramethyl-3-[(E)-prop-1-enyl]-6,10-dioxaspiro[4.5]decane?
The InChIKey is RFKRNYDOIRXTAC-UTTOWCGFSA-N. The full InChI is InChI=1S/C15H26O2/c1-6-7-14(5)9-15(8-12(14)2)16-10-13(3,4)11-17-15/h6-7,12H,8-11H2,1-5H3/b7-6+/t12-,14-/m0/s1.
What are the key properties of (2S,3S)-2,3,8,8-tetramethyl-3-[(E)-prop-1-enyl]-6,10-dioxaspiro[4.5]decane?
(2S,3S)-2,3,8,8-tetramethyl-3-[(E)-prop-1-enyl]-6,10-dioxaspiro[4.5]decane has a molecular weight of 238.37 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2,3,8,8-tetramethyl-3-[(E)-prop-1-enyl]-6,10-dioxaspiro[4.5]decane is sourced from PubChem (CID 101234485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).