8-(cyclopropylmethyl)-8-methyl-1,4-dioxaspiro[4.5]decane

C13H22O2 — CID 69192921

IUPAC8-(cyclopropylmethyl)-8-methyl-1,4-dioxaspiro[4.5]decane
SMILESCC1(CC2CC2)CCC2(CC1)OCCO2
InChIInChI=1S/C13H22O2/c1-12(10-11-2-3-11)4-6-13(7-5-12)14-8-9-15-13/h11H,2-10H2,1H3
InChIKeyKVYDMYHOSKRRJA-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.11
Rot. Bonds2

About 8-(cyclopropylmethyl)-8-methyl-1,4-dioxaspiro[4.5]decane

8-(cyclopropylmethyl)-8-methyl-1,4-dioxaspiro[4.5]decane (PubChem CID 69192921) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 8-(cyclopropylmethyl)-8-methyl-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-(cyclopropylmethyl)-8-methyl-1,4-dioxaspiro[4.5]decane
PubChem CID69192921
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name8-(cyclopropylmethyl)-8-methyl-1,4-dioxaspiro[4.5]decane
SMILESCC1(CC2CC2)CCC2(CC1)OCCO2
InChIInChI=1S/C13H22O2/c1-12(10-11-2-3-11)4-6-13(7-5-12)14-8-9-15-13/h11H,2-10H2,1H3
InChIKeyKVYDMYHOSKRRJA-UHFFFAOYSA-N
XLogP3.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(cyclopropylmethyl)-8-methyl-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-(cyclopropylmethyl)-8-methyl-1,4-dioxaspiro[4.5]decane (CID 69192921) is 8-(cyclopropylmethyl)-8-methyl-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-(cyclopropylmethyl)-8-methyl-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-(cyclopropylmethyl)-8-methyl-1,4-dioxaspiro[4.5]decane is CC1(CC2CC2)CCC2(CC1)OCCO2.
What is the InChIKey of 8-(cyclopropylmethyl)-8-methyl-1,4-dioxaspiro[4.5]decane?
The InChIKey is KVYDMYHOSKRRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-12(10-11-2-3-11)4-6-13(7-5-12)14-8-9-15-13/h11H,2-10H2,1H3.
What are the key properties of 8-(cyclopropylmethyl)-8-methyl-1,4-dioxaspiro[4.5]decane?
8-(cyclopropylmethyl)-8-methyl-1,4-dioxaspiro[4.5]decane has a molecular weight of 210.32 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclopropylmethyl)-8-methyl-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 69192921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).