6,8,8-trimethyl-7-[(1E,3E)-3-methylpenta-1,3-dienyl]-1,4-dioxaspiro[4.5]dec-6-ene

C17H26O2 — CID 19839163

IUPAC6,8,8-trimethyl-7-[(1E,3E)-3-methylpenta-1,3-dienyl]-1,4-dioxaspiro[4.5]dec-6-ene
SMILESC/C=C(C)/C=C/C1=C(C)C2(CCC1(C)C)OCCO2
InChIInChI=1S/C17H26O2/c1-6-13(2)7-8-15-14(3)17(18-11-12-19-17)10-9-16(15,4)5/h6-8H,9-12H2,1-5H3/b8-7+,13-6+
InChIKeyBGELJYJSMQWUFB-ATYMRYJVSA-N
MW262.39 g/mol
LogP4.39
Rot. Bonds2

About 6,8,8-trimethyl-7-[(1E,3E)-3-methylpenta-1,3-dienyl]-1,4-dioxaspiro[4.5]dec-6-ene

6,8,8-trimethyl-7-[(1E,3E)-3-methylpenta-1,3-dienyl]-1,4-dioxaspiro[4.5]dec-6-ene (PubChem CID 19839163) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 6,8,8-trimethyl-7-[(1E,3E)-3-methylpenta-1,3-dienyl]-1,4-dioxaspiro[4.5]dec-6-ene.

Molecular Properties

Compound Name6,8,8-trimethyl-7-[(1E,3E)-3-methylpenta-1,3-dienyl]-1,4-dioxaspiro[4.5]dec-6-ene
PubChem CID19839163
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name6,8,8-trimethyl-7-[(1E,3E)-3-methylpenta-1,3-dienyl]-1,4-dioxaspiro[4.5]dec-6-ene
SMILESC/C=C(C)/C=C/C1=C(C)C2(CCC1(C)C)OCCO2
InChIInChI=1S/C17H26O2/c1-6-13(2)7-8-15-14(3)17(18-11-12-19-17)10-9-16(15,4)5/h6-8H,9-12H2,1-5H3/b8-7+,13-6+
InChIKeyBGELJYJSMQWUFB-ATYMRYJVSA-N
XLogP4.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.39
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 6,8,8-trimethyl-7-[(1E,3E)-3-methylpenta-1,3-dienyl]-1,4-dioxaspiro[4.5]dec-6-ene?
The IUPAC name of 6,8,8-trimethyl-7-[(1E,3E)-3-methylpenta-1,3-dienyl]-1,4-dioxaspiro[4.5]dec-6-ene (CID 19839163) is 6,8,8-trimethyl-7-[(1E,3E)-3-methylpenta-1,3-dienyl]-1,4-dioxaspiro[4.5]dec-6-ene.
What is the SMILES notation for 6,8,8-trimethyl-7-[(1E,3E)-3-methylpenta-1,3-dienyl]-1,4-dioxaspiro[4.5]dec-6-ene?
The canonical SMILES for 6,8,8-trimethyl-7-[(1E,3E)-3-methylpenta-1,3-dienyl]-1,4-dioxaspiro[4.5]dec-6-ene is C/C=C(C)/C=C/C1=C(C)C2(CCC1(C)C)OCCO2.
What is the InChIKey of 6,8,8-trimethyl-7-[(1E,3E)-3-methylpenta-1,3-dienyl]-1,4-dioxaspiro[4.5]dec-6-ene?
The InChIKey is BGELJYJSMQWUFB-ATYMRYJVSA-N. The full InChI is InChI=1S/C17H26O2/c1-6-13(2)7-8-15-14(3)17(18-11-12-19-17)10-9-16(15,4)5/h6-8H,9-12H2,1-5H3/b8-7+,13-6+.
What are the key properties of 6,8,8-trimethyl-7-[(1E,3E)-3-methylpenta-1,3-dienyl]-1,4-dioxaspiro[4.5]dec-6-ene?
6,8,8-trimethyl-7-[(1E,3E)-3-methylpenta-1,3-dienyl]-1,4-dioxaspiro[4.5]dec-6-ene has a molecular weight of 262.39 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8,8-trimethyl-7-[(1E,3E)-3-methylpenta-1,3-dienyl]-1,4-dioxaspiro[4.5]dec-6-ene is sourced from PubChem (CID 19839163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).