(2R)-2-methyl-3-prop-1-en-2-yl-1-oxaspiro[4.4]nonane

C12H20O — CID 174090338

IUPAC(2R)-2-methyl-3-prop-1-en-2-yl-1-oxaspiro[4.4]nonane
SMILESC=C(C)C1CC2(CCCC2)O[C@@H]1C
InChIInChI=1S/C12H20O/c1-9(2)11-8-12(13-10(11)3)6-4-5-7-12/h10-11H,1,4-8H2,2-3H3/t10-,11?/m1/s1
InChIKeyXUBPTQLHLUZOPG-NFJWQWPMSA-N
MW180.29 g/mol
LogP3.30
Rot. Bonds1

About (2R)-2-methyl-3-prop-1-en-2-yl-1-oxaspiro[4.4]nonane

(2R)-2-methyl-3-prop-1-en-2-yl-1-oxaspiro[4.4]nonane (PubChem CID 174090338) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is (2R)-2-methyl-3-prop-1-en-2-yl-1-oxaspiro[4.4]nonane.

Molecular Properties

Compound Name(2R)-2-methyl-3-prop-1-en-2-yl-1-oxaspiro[4.4]nonane
PubChem CID174090338
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name(2R)-2-methyl-3-prop-1-en-2-yl-1-oxaspiro[4.4]nonane
SMILESC=C(C)C1CC2(CCCC2)O[C@@H]1C
InChIInChI=1S/C12H20O/c1-9(2)11-8-12(13-10(11)3)6-4-5-7-12/h10-11H,1,4-8H2,2-3H3/t10-,11?/m1/s1
InChIKeyXUBPTQLHLUZOPG-NFJWQWPMSA-N
XLogP3.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (2R)-2-methyl-3-prop-1-en-2-yl-1-oxaspiro[4.4]nonane?
The IUPAC name of (2R)-2-methyl-3-prop-1-en-2-yl-1-oxaspiro[4.4]nonane (CID 174090338) is (2R)-2-methyl-3-prop-1-en-2-yl-1-oxaspiro[4.4]nonane.
What is the SMILES notation for (2R)-2-methyl-3-prop-1-en-2-yl-1-oxaspiro[4.4]nonane?
The canonical SMILES for (2R)-2-methyl-3-prop-1-en-2-yl-1-oxaspiro[4.4]nonane is C=C(C)C1CC2(CCCC2)O[C@@H]1C.
What is the InChIKey of (2R)-2-methyl-3-prop-1-en-2-yl-1-oxaspiro[4.4]nonane?
The InChIKey is XUBPTQLHLUZOPG-NFJWQWPMSA-N. The full InChI is InChI=1S/C12H20O/c1-9(2)11-8-12(13-10(11)3)6-4-5-7-12/h10-11H,1,4-8H2,2-3H3/t10-,11?/m1/s1.
What are the key properties of (2R)-2-methyl-3-prop-1-en-2-yl-1-oxaspiro[4.4]nonane?
(2R)-2-methyl-3-prop-1-en-2-yl-1-oxaspiro[4.4]nonane has a molecular weight of 180.29 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-3-prop-1-en-2-yl-1-oxaspiro[4.4]nonane is sourced from PubChem (CID 174090338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).