10-methyl-9-prop-1-en-2-yl-2,6-dioxaspiro[4.5]decane

C12H20O2 — CID 172612559

IUPAC10-methyl-9-prop-1-en-2-yl-2,6-dioxaspiro[4.5]decane
SMILESC=C(C)C1CCOC2(CCOC2)C1C
InChIInChI=1S/C12H20O2/c1-9(2)11-4-6-14-12(10(11)3)5-7-13-8-12/h10-11H,1,4-8H2,2-3H3
InChIKeyFFTHWPZPIVSJIP-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.39
Rot. Bonds1

About 10-methyl-9-prop-1-en-2-yl-2,6-dioxaspiro[4.5]decane

10-methyl-9-prop-1-en-2-yl-2,6-dioxaspiro[4.5]decane (PubChem CID 172612559) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 10-methyl-9-prop-1-en-2-yl-2,6-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name10-methyl-9-prop-1-en-2-yl-2,6-dioxaspiro[4.5]decane
PubChem CID172612559
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name10-methyl-9-prop-1-en-2-yl-2,6-dioxaspiro[4.5]decane
SMILESC=C(C)C1CCOC2(CCOC2)C1C
InChIInChI=1S/C12H20O2/c1-9(2)11-4-6-14-12(10(11)3)5-7-13-8-12/h10-11H,1,4-8H2,2-3H3
InChIKeyFFTHWPZPIVSJIP-UHFFFAOYSA-N
XLogP2.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-methyl-9-prop-1-en-2-yl-2,6-dioxaspiro[4.5]decane?
The IUPAC name of 10-methyl-9-prop-1-en-2-yl-2,6-dioxaspiro[4.5]decane (CID 172612559) is 10-methyl-9-prop-1-en-2-yl-2,6-dioxaspiro[4.5]decane.
What is the SMILES notation for 10-methyl-9-prop-1-en-2-yl-2,6-dioxaspiro[4.5]decane?
The canonical SMILES for 10-methyl-9-prop-1-en-2-yl-2,6-dioxaspiro[4.5]decane is C=C(C)C1CCOC2(CCOC2)C1C.
What is the InChIKey of 10-methyl-9-prop-1-en-2-yl-2,6-dioxaspiro[4.5]decane?
The InChIKey is FFTHWPZPIVSJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-9(2)11-4-6-14-12(10(11)3)5-7-13-8-12/h10-11H,1,4-8H2,2-3H3.
What are the key properties of 10-methyl-9-prop-1-en-2-yl-2,6-dioxaspiro[4.5]decane?
10-methyl-9-prop-1-en-2-yl-2,6-dioxaspiro[4.5]decane has a molecular weight of 196.29 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-9-prop-1-en-2-yl-2,6-dioxaspiro[4.5]decane is sourced from PubChem (CID 172612559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).