(3R)-3-methyl-3-[[(2R,6S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran-6-yl]methyl]-1,4-dioxaspiro[4.5]decane

C20H32O3 — CID 25111178

IUPAC(3R)-3-methyl-3-[[(2R,6S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran-6-yl]methyl]-1,4-dioxaspiro[4.5]decane
SMILESCC(C)=C[C@H]1CC(C)=C[C@H](C[C@]2(C)COC3(CCCCC3)O2)O1
InChIInChI=1S/C20H32O3/c1-15(2)10-17-11-16(3)12-18(22-17)13-19(4)14-21-20(23-19)8-6-5-7-9-20/h10,12,17-18H,5-9,11,13-14H2,1-4H3/t17-,18+,19+/m0/s1
InChIKeyWZGIADIJXJWTKA-IPMKNSEASA-N
MW320.47 g/mol
LogP4.91
Rot. Bonds3

About (3R)-3-methyl-3-[[(2R,6S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran-6-yl]methyl]-1,4-dioxaspiro[4.5]decane

(3R)-3-methyl-3-[[(2R,6S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran-6-yl]methyl]-1,4-dioxaspiro[4.5]decane (PubChem CID 25111178) has the molecular formula C20H32O3 and a molecular weight of 320.47 g/mol. Its IUPAC name is (3R)-3-methyl-3-[[(2R,6S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran-6-yl]methyl]-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name(3R)-3-methyl-3-[[(2R,6S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran-6-yl]methyl]-1,4-dioxaspiro[4.5]decane
PubChem CID25111178
Molecular FormulaC20H32O3
Molecular Weight320.47 g/mol
Exact Mass320.24
IUPAC Name(3R)-3-methyl-3-[[(2R,6S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran-6-yl]methyl]-1,4-dioxaspiro[4.5]decane
SMILESCC(C)=C[C@H]1CC(C)=C[C@H](C[C@]2(C)COC3(CCCCC3)O2)O1
InChIInChI=1S/C20H32O3/c1-15(2)10-17-11-16(3)12-18(22-17)13-19(4)14-21-20(23-19)8-6-5-7-9-20/h10,12,17-18H,5-9,11,13-14H2,1-4H3/t17-,18+,19+/m0/s1
InChIKeyWZGIADIJXJWTKA-IPMKNSEASA-N
XLogP4.91
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.47
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3R)-3-methyl-3-[[(2R,6S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran-6-yl]methyl]-1,4-dioxaspiro[4.5]decane with MolForge

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Related Compounds

2,2,8-Trimethyl-1,3-dioxaspiro[4.4]non-8-ene
CID 11355699
(3R)-3-methyl-3-[[(2R,6R)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran-6-yl]methyl]-1,4-dioxaspiro[4.5]decane
CID 25111177
(2S)-2-[(4R,5R)-2,2-dimethyl-5-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-1,3-dioxolan-4-yl]-4-methyl-3,6-dihydro-2H-pyran
CID 11162206
(6R)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-undecyl-2,5-dihydropyran
CID 11393607
(7Z)-7-ethylidenespiro[4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane]
CID 59103840
(7aS)-7-ethylidenespiro[4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane]
CID 59103852
(3aS,7Z,7aR)-7-ethylidenespiro[4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane]
CID 69797175
(5R)-2,2,8-trimethyl-1,3-dioxaspiro[4.4]non-8-ene
CID 10511320
(2S,3S)-2,3-bis[(2-methylpropan-2-yl)oxymethyl]-1,4-dioxaspiro[4.5]dec-6-ene
CID 10567120
(2S,3S)-2,3-bis(2,3-dimethylbutan-2-yloxymethyl)-7-methyl-1,4-dioxaspiro[4.5]dec-6-ene
CID 10738698
(2S,3S)-2,3-bis(3-methylpentan-3-yloxymethyl)-1,4-dioxaspiro[4.5]dec-6-ene
CID 10785281
(2S,3S)-2,3-bis(2-methylbutan-2-yloxymethyl)-1,4-dioxaspiro[4.5]dec-6-ene
CID 10831044

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-3-[[(2R,6S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran-6-yl]methyl]-1,4-dioxaspiro[4.5]decane?
The IUPAC name of (3R)-3-methyl-3-[[(2R,6S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran-6-yl]methyl]-1,4-dioxaspiro[4.5]decane (CID 25111178) is (3R)-3-methyl-3-[[(2R,6S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran-6-yl]methyl]-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for (3R)-3-methyl-3-[[(2R,6S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran-6-yl]methyl]-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for (3R)-3-methyl-3-[[(2R,6S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran-6-yl]methyl]-1,4-dioxaspiro[4.5]decane is CC(C)=C[C@H]1CC(C)=C[C@H](C[C@]2(C)COC3(CCCCC3)O2)O1.
What is the InChIKey of (3R)-3-methyl-3-[[(2R,6S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran-6-yl]methyl]-1,4-dioxaspiro[4.5]decane?
The InChIKey is WZGIADIJXJWTKA-IPMKNSEASA-N. The full InChI is InChI=1S/C20H32O3/c1-15(2)10-17-11-16(3)12-18(22-17)13-19(4)14-21-20(23-19)8-6-5-7-9-20/h10,12,17-18H,5-9,11,13-14H2,1-4H3/t17-,18+,19+/m0/s1.
What are the key properties of (3R)-3-methyl-3-[[(2R,6S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran-6-yl]methyl]-1,4-dioxaspiro[4.5]decane?
(3R)-3-methyl-3-[[(2R,6S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran-6-yl]methyl]-1,4-dioxaspiro[4.5]decane has a molecular weight of 320.47 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-3-[[(2R,6S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran-6-yl]methyl]-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 25111178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).