8,8-dimethyl-7-prop-1-en-2-yl-1-oxaspiro[4.4]nonane

C13H22O — CID 170034541

IUPAC8,8-dimethyl-7-prop-1-en-2-yl-1-oxaspiro[4.4]nonane
SMILESC=C(C)C1CC2(CCCO2)CC1(C)C
InChIInChI=1S/C13H22O/c1-10(2)11-8-13(6-5-7-14-13)9-12(11,3)4/h11H,1,5-9H2,2-4H3
InChIKeyYCBATRQBJNIURD-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.55
Rot. Bonds1

About 8,8-dimethyl-7-prop-1-en-2-yl-1-oxaspiro[4.4]nonane

8,8-dimethyl-7-prop-1-en-2-yl-1-oxaspiro[4.4]nonane (PubChem CID 170034541) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 8,8-dimethyl-7-prop-1-en-2-yl-1-oxaspiro[4.4]nonane.

Molecular Properties

Compound Name8,8-dimethyl-7-prop-1-en-2-yl-1-oxaspiro[4.4]nonane
PubChem CID170034541
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name8,8-dimethyl-7-prop-1-en-2-yl-1-oxaspiro[4.4]nonane
SMILESC=C(C)C1CC2(CCCO2)CC1(C)C
InChIInChI=1S/C13H22O/c1-10(2)11-8-13(6-5-7-14-13)9-12(11,3)4/h11H,1,5-9H2,2-4H3
InChIKeyYCBATRQBJNIURD-UHFFFAOYSA-N
XLogP3.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.55
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 8,8-dimethyl-7-prop-1-en-2-yl-1-oxaspiro[4.4]nonane?
The IUPAC name of 8,8-dimethyl-7-prop-1-en-2-yl-1-oxaspiro[4.4]nonane (CID 170034541) is 8,8-dimethyl-7-prop-1-en-2-yl-1-oxaspiro[4.4]nonane.
What is the SMILES notation for 8,8-dimethyl-7-prop-1-en-2-yl-1-oxaspiro[4.4]nonane?
The canonical SMILES for 8,8-dimethyl-7-prop-1-en-2-yl-1-oxaspiro[4.4]nonane is C=C(C)C1CC2(CCCO2)CC1(C)C.
What is the InChIKey of 8,8-dimethyl-7-prop-1-en-2-yl-1-oxaspiro[4.4]nonane?
The InChIKey is YCBATRQBJNIURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-10(2)11-8-13(6-5-7-14-13)9-12(11,3)4/h11H,1,5-9H2,2-4H3.
What are the key properties of 8,8-dimethyl-7-prop-1-en-2-yl-1-oxaspiro[4.4]nonane?
8,8-dimethyl-7-prop-1-en-2-yl-1-oxaspiro[4.4]nonane has a molecular weight of 194.32 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-7-prop-1-en-2-yl-1-oxaspiro[4.4]nonane is sourced from PubChem (CID 170034541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).