3-methoxy-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-9-ene

C16H26O — CID 25136706

IUPAC3-methoxy-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-9-ene
SMILESC=C1CC(OC)CC(C)(C)C12CC=C(C)CC2
InChIInChI=1S/C16H26O/c1-12-6-8-16(9-7-12)13(2)10-14(17-5)11-15(16,3)4/h6,14H,2,7-11H2,1,3-5H3
InChIKeyYKCFVSRFRRFSSQ-UHFFFAOYSA-N
MW234.38 g/mol
LogP4.49
Rot. Bonds1

About 3-methoxy-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-9-ene

3-methoxy-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-9-ene (PubChem CID 25136706) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 3-methoxy-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-9-ene.

Molecular Properties

Compound Name3-methoxy-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-9-ene
PubChem CID25136706
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name3-methoxy-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-9-ene
SMILESC=C1CC(OC)CC(C)(C)C12CC=C(C)CC2
InChIInChI=1S/C16H26O/c1-12-6-8-16(9-7-12)13(2)10-14(17-5)11-15(16,3)4/h6,14H,2,7-11H2,1,3-5H3
InChIKeyYKCFVSRFRRFSSQ-UHFFFAOYSA-N
XLogP4.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.49
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 3-methoxy-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-9-ene?
The IUPAC name of 3-methoxy-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-9-ene (CID 25136706) is 3-methoxy-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-9-ene.
What is the SMILES notation for 3-methoxy-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-9-ene?
The canonical SMILES for 3-methoxy-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-9-ene is C=C1CC(OC)CC(C)(C)C12CC=C(C)CC2.
What is the InChIKey of 3-methoxy-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-9-ene?
The InChIKey is YKCFVSRFRRFSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1-12-6-8-16(9-7-12)13(2)10-14(17-5)11-15(16,3)4/h6,14H,2,7-11H2,1,3-5H3.
What are the key properties of 3-methoxy-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-9-ene?
3-methoxy-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-9-ene has a molecular weight of 234.38 g/mol, XLogP of 4.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-9-ene is sourced from PubChem (CID 25136706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).