2-(5-ethyl-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl)-2-methyl-1,3-dioxolane

C18H26O2 — CID 59903954

IUPAC2-(5-ethyl-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl)-2-methyl-1,3-dioxolane
SMILESCCC1CCC(C)(C)c2cc(C3(C)OCCO3)ccc21
InChIInChI=1S/C18H26O2/c1-5-13-8-9-17(2,3)16-12-14(6-7-15(13)16)18(4)19-10-11-20-18/h6-7,12-13H,5,8-11H2,1-4H3
InChIKeyICWYNIWVLSIKEE-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.47
Rot. Bonds2

About 2-(5-ethyl-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl)-2-methyl-1,3-dioxolane

2-(5-ethyl-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl)-2-methyl-1,3-dioxolane (PubChem CID 59903954) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 2-(5-ethyl-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl)-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-(5-ethyl-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl)-2-methyl-1,3-dioxolane
PubChem CID59903954
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name2-(5-ethyl-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl)-2-methyl-1,3-dioxolane
SMILESCCC1CCC(C)(C)c2cc(C3(C)OCCO3)ccc21
InChIInChI=1S/C18H26O2/c1-5-13-8-9-17(2,3)16-12-14(6-7-15(13)16)18(4)19-10-11-20-18/h6-7,12-13H,5,8-11H2,1-4H3
InChIKeyICWYNIWVLSIKEE-UHFFFAOYSA-N
XLogP4.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl)-2-methyl-1,3-dioxolane?
The IUPAC name of 2-(5-ethyl-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl)-2-methyl-1,3-dioxolane (CID 59903954) is 2-(5-ethyl-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl)-2-methyl-1,3-dioxolane.
What is the SMILES notation for 2-(5-ethyl-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl)-2-methyl-1,3-dioxolane?
The canonical SMILES for 2-(5-ethyl-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl)-2-methyl-1,3-dioxolane is CCC1CCC(C)(C)c2cc(C3(C)OCCO3)ccc21.
What is the InChIKey of 2-(5-ethyl-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl)-2-methyl-1,3-dioxolane?
The InChIKey is ICWYNIWVLSIKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-5-13-8-9-17(2,3)16-12-14(6-7-15(13)16)18(4)19-10-11-20-18/h6-7,12-13H,5,8-11H2,1-4H3.
What are the key properties of 2-(5-ethyl-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl)-2-methyl-1,3-dioxolane?
2-(5-ethyl-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl)-2-methyl-1,3-dioxolane has a molecular weight of 274.40 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl)-2-methyl-1,3-dioxolane is sourced from PubChem (CID 59903954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).