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

C12H20O2 — CID 58749727

IUPAC8-(cyclopropylmethyl)-1,4-dioxaspiro[4.5]decane
SMILESC1COC2(CCC(CC3CC3)CC2)O1
InChIInChI=1S/C12H20O2/c1-2-10(1)9-11-3-5-12(6-4-11)13-7-8-14-12/h10-11H,1-9H2
InChIKeySIPMCUGZZJXOGE-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.72
Rot. Bonds2

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

8-(cyclopropylmethyl)-1,4-dioxaspiro[4.5]decane (PubChem CID 58749727) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 8-(cyclopropylmethyl)-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-(cyclopropylmethyl)-1,4-dioxaspiro[4.5]decane
PubChem CID58749727
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name8-(cyclopropylmethyl)-1,4-dioxaspiro[4.5]decane
SMILESC1COC2(CCC(CC3CC3)CC2)O1
InChIInChI=1S/C12H20O2/c1-2-10(1)9-11-3-5-12(6-4-11)13-7-8-14-12/h10-11H,1-9H2
InChIKeySIPMCUGZZJXOGE-UHFFFAOYSA-N
XLogP2.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(cyclopropylmethyl)-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-(cyclopropylmethyl)-1,4-dioxaspiro[4.5]decane (CID 58749727) is 8-(cyclopropylmethyl)-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-(cyclopropylmethyl)-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-(cyclopropylmethyl)-1,4-dioxaspiro[4.5]decane is C1COC2(CCC(CC3CC3)CC2)O1.
What is the InChIKey of 8-(cyclopropylmethyl)-1,4-dioxaspiro[4.5]decane?
The InChIKey is SIPMCUGZZJXOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-2-10(1)9-11-3-5-12(6-4-11)13-7-8-14-12/h10-11H,1-9H2.
What are the key properties of 8-(cyclopropylmethyl)-1,4-dioxaspiro[4.5]decane?
8-(cyclopropylmethyl)-1,4-dioxaspiro[4.5]decane has a molecular weight of 196.29 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclopropylmethyl)-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 58749727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).