(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'}

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

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Related Compounds

4a'-Methyl-3',4',4a',5',6',7'-hexahydro-1'h-spiro[1,3-dioxolane-2,2'-naphthalene]
CID 270622
1,4-Dioxaspiro[4.5]dec-7-ene, 7,9,9-trimethyl-
CID 10910189
7-Ethenyl-6,6-dimethyl-1,4-dioxaspiro[4.5]dec-7-ene
CID 10679352
(4aS)-4a-methylspiro[1,2,3,5,6,7-hexahydronaphthalene-4,2'-1,3-dioxolane]
CID 11435732
7'a-methylspiro[1,3-dioxolane-2,5'-2,4,6,7-tetrahydro-1H-indene]
CID 12435758
7'a-methylspiro[1,3-dioxolane-2,7'-2,4,5,6-tetrahydro-1H-indene]
CID 75219741
4-Methyl-9,12-dioxadispiro[4.2.48.25]tetradec-3-ene
CID 102387986
2-Methyl-2-(1,2,4-trimethylcyclohex-3-en-1-yl)-1,3-dioxolane
CID 134980617
2-methyl-2-[(1S,6R)-1,2,4,6-tetramethylcyclohex-3-en-1-yl]-1,3-dioxolane
CID 134991156
2-(1,4-Dimethylcyclohex-3-en-1-yl)-2-methyl-1,3-dioxolane
CID 134992232
(4'aS)-7'-ethylidene-4'a-methylspiro[1,3-dioxolane-2,4'-2,3,5,6-tetrahydro-1H-naphthalene]
CID 135020442
6-(1-Cyclohexen-1-yl)-1,4-dioxaspiro[4.5]decane
CID 92658

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).