8-(4,6-dimethylcyclohexa-1,5-dien-1-yl)-1,4-dioxaspiro[4.5]decane

C16H24O2 — CID 142129364

IUPAC8-(4,6-dimethylcyclohexa-1,5-dien-1-yl)-1,4-dioxaspiro[4.5]decane
SMILESCC1=CC(C)CC=C1C1CCC2(CC1)OCCO2
InChIInChI=1S/C16H24O2/c1-12-3-4-15(13(2)11-12)14-5-7-16(8-6-14)17-9-10-18-16/h4,11-12,14H,3,5-10H2,1-2H3
InChIKeyMFCDAZUHDSTDEZ-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.83
Rot. Bonds1

About 8-(4,6-dimethylcyclohexa-1,5-dien-1-yl)-1,4-dioxaspiro[4.5]decane

8-(4,6-dimethylcyclohexa-1,5-dien-1-yl)-1,4-dioxaspiro[4.5]decane (PubChem CID 142129364) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 8-(4,6-dimethylcyclohexa-1,5-dien-1-yl)-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-(4,6-dimethylcyclohexa-1,5-dien-1-yl)-1,4-dioxaspiro[4.5]decane
PubChem CID142129364
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name8-(4,6-dimethylcyclohexa-1,5-dien-1-yl)-1,4-dioxaspiro[4.5]decane
SMILESCC1=CC(C)CC=C1C1CCC2(CC1)OCCO2
InChIInChI=1S/C16H24O2/c1-12-3-4-15(13(2)11-12)14-5-7-16(8-6-14)17-9-10-18-16/h4,11-12,14H,3,5-10H2,1-2H3
InChIKeyMFCDAZUHDSTDEZ-UHFFFAOYSA-N
XLogP3.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(4,6-dimethylcyclohexa-1,5-dien-1-yl)-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-(4,6-dimethylcyclohexa-1,5-dien-1-yl)-1,4-dioxaspiro[4.5]decane (CID 142129364) is 8-(4,6-dimethylcyclohexa-1,5-dien-1-yl)-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-(4,6-dimethylcyclohexa-1,5-dien-1-yl)-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-(4,6-dimethylcyclohexa-1,5-dien-1-yl)-1,4-dioxaspiro[4.5]decane is CC1=CC(C)CC=C1C1CCC2(CC1)OCCO2.
What is the InChIKey of 8-(4,6-dimethylcyclohexa-1,5-dien-1-yl)-1,4-dioxaspiro[4.5]decane?
The InChIKey is MFCDAZUHDSTDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-12-3-4-15(13(2)11-12)14-5-7-16(8-6-14)17-9-10-18-16/h4,11-12,14H,3,5-10H2,1-2H3.
What are the key properties of 8-(4,6-dimethylcyclohexa-1,5-dien-1-yl)-1,4-dioxaspiro[4.5]decane?
8-(4,6-dimethylcyclohexa-1,5-dien-1-yl)-1,4-dioxaspiro[4.5]decane has a molecular weight of 248.37 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4,6-dimethylcyclohexa-1,5-dien-1-yl)-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 142129364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).