(6R)-6-methyl-6-[(1E)-4-methylpenta-1,3-dienyl]-1,4-dioxaspiro[4.5]decane

C15H24O2 — CID 10776217

IUPAC(6R)-6-methyl-6-[(1E)-4-methylpenta-1,3-dienyl]-1,4-dioxaspiro[4.5]decane
SMILESCC(C)=C/C=C/[C@@]1(C)CCCCC12OCCO2
InChIInChI=1S/C15H24O2/c1-13(2)7-6-9-14(3)8-4-5-10-15(14)16-11-12-17-15/h6-7,9H,4-5,8,10-12H2,1-3H3/b9-6+/t14-/m1/s1
InChIKeyPBCZHYVKZWEKSY-VIIAAUOXSA-N
MW236.35 g/mol
LogP3.83
Rot. Bonds2

About (6R)-6-methyl-6-[(1E)-4-methylpenta-1,3-dienyl]-1,4-dioxaspiro[4.5]decane

(6R)-6-methyl-6-[(1E)-4-methylpenta-1,3-dienyl]-1,4-dioxaspiro[4.5]decane (PubChem CID 10776217) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (6R)-6-methyl-6-[(1E)-4-methylpenta-1,3-dienyl]-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name(6R)-6-methyl-6-[(1E)-4-methylpenta-1,3-dienyl]-1,4-dioxaspiro[4.5]decane
PubChem CID10776217
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(6R)-6-methyl-6-[(1E)-4-methylpenta-1,3-dienyl]-1,4-dioxaspiro[4.5]decane
SMILESCC(C)=C/C=C/[C@@]1(C)CCCCC12OCCO2
InChIInChI=1S/C15H24O2/c1-13(2)7-6-9-14(3)8-4-5-10-15(14)16-11-12-17-15/h6-7,9H,4-5,8,10-12H2,1-3H3/b9-6+/t14-/m1/s1
InChIKeyPBCZHYVKZWEKSY-VIIAAUOXSA-N
XLogP3.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-methyl-6-[(1E)-4-methylpenta-1,3-dienyl]-1,4-dioxaspiro[4.5]decane?
The IUPAC name of (6R)-6-methyl-6-[(1E)-4-methylpenta-1,3-dienyl]-1,4-dioxaspiro[4.5]decane (CID 10776217) is (6R)-6-methyl-6-[(1E)-4-methylpenta-1,3-dienyl]-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for (6R)-6-methyl-6-[(1E)-4-methylpenta-1,3-dienyl]-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for (6R)-6-methyl-6-[(1E)-4-methylpenta-1,3-dienyl]-1,4-dioxaspiro[4.5]decane is CC(C)=C/C=C/[C@@]1(C)CCCCC12OCCO2.
What is the InChIKey of (6R)-6-methyl-6-[(1E)-4-methylpenta-1,3-dienyl]-1,4-dioxaspiro[4.5]decane?
The InChIKey is PBCZHYVKZWEKSY-VIIAAUOXSA-N. The full InChI is InChI=1S/C15H24O2/c1-13(2)7-6-9-14(3)8-4-5-10-15(14)16-11-12-17-15/h6-7,9H,4-5,8,10-12H2,1-3H3/b9-6+/t14-/m1/s1.
What are the key properties of (6R)-6-methyl-6-[(1E)-4-methylpenta-1,3-dienyl]-1,4-dioxaspiro[4.5]decane?
(6R)-6-methyl-6-[(1E)-4-methylpenta-1,3-dienyl]-1,4-dioxaspiro[4.5]decane has a molecular weight of 236.35 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-methyl-6-[(1E)-4-methylpenta-1,3-dienyl]-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 10776217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).