4,6-dimethoxy-8-methylidenespiro[2.5]octane

C11H18O2 — CID 20632853

IUPAC4,6-dimethoxy-8-methylidenespiro[2.5]octane
SMILESC=C1CC(OC)CC(OC)C12CC2
InChIInChI=1S/C11H18O2/c1-8-6-9(12-2)7-10(13-3)11(8)4-5-11/h9-10H,1,4-7H2,2-3H3
InChIKeyNAMSSAZFXFFDNL-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.15
Rot. Bonds2

About 4,6-dimethoxy-8-methylidenespiro[2.5]octane

4,6-dimethoxy-8-methylidenespiro[2.5]octane (PubChem CID 20632853) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 4,6-dimethoxy-8-methylidenespiro[2.5]octane.

Molecular Properties

Compound Name4,6-dimethoxy-8-methylidenespiro[2.5]octane
PubChem CID20632853
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name4,6-dimethoxy-8-methylidenespiro[2.5]octane
SMILESC=C1CC(OC)CC(OC)C12CC2
InChIInChI=1S/C11H18O2/c1-8-6-9(12-2)7-10(13-3)11(8)4-5-11/h9-10H,1,4-7H2,2-3H3
InChIKeyNAMSSAZFXFFDNL-UHFFFAOYSA-N
XLogP2.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trans-(3R,5R)-3,5-dimethoxycyclohexan-1-one
CID 22213714
1,3,5-trimethoxycyclohexane
CID 547415
(NZ)-N-[(3aR,5R,6aS)-5-methoxyspiro[1,3a,4,5,6,6a-hexahydropentalene-3,1'-cyclopropane]-2-ylidene]hydroxylamine
CID 118460006
1,3-difluoro-5-methoxy-2-methylidenecyclohexane
CID 91554036
1-(3-methoxycyclohexyl)oxyspiro[3.4]octan-3-one
CID 66366854
7-methoxy-2,2-dimethyl-5-methylidene-4,4a,6,7,8,8a-hexahydrobenzo[d][1,3]dioxine
CID 145030205
2-(2-chloroethylidene)-4-methoxy-1,1,6-trimethylcyclohexane
CID 72511475
(2Z)-2-(5-methoxy-2,2,3-trimethylcyclohexylidene)ethanol
CID 59083995
3-methoxy-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-9-ene
CID 25136706
(4E)-4-[(2Z)-2-(3,5-dimethoxy-2-methylcyclohexylidene)ethylidene]-1,7a-dimethyl-2,3,3a,5,6,7-hexahydro-1H-indene
CID 59887787
cis-(1S,3R)-1,3-dimethoxycyclopentane
CID 22214084
2-methoxy-1,1-dimethylcyclobutane
CID 58806257

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-8-methylidenespiro[2.5]octane?
The IUPAC name of 4,6-dimethoxy-8-methylidenespiro[2.5]octane (CID 20632853) is 4,6-dimethoxy-8-methylidenespiro[2.5]octane.
What is the SMILES notation for 4,6-dimethoxy-8-methylidenespiro[2.5]octane?
The canonical SMILES for 4,6-dimethoxy-8-methylidenespiro[2.5]octane is C=C1CC(OC)CC(OC)C12CC2.
What is the InChIKey of 4,6-dimethoxy-8-methylidenespiro[2.5]octane?
The InChIKey is NAMSSAZFXFFDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-8-6-9(12-2)7-10(13-3)11(8)4-5-11/h9-10H,1,4-7H2,2-3H3.
What are the key properties of 4,6-dimethoxy-8-methylidenespiro[2.5]octane?
4,6-dimethoxy-8-methylidenespiro[2.5]octane has a molecular weight of 182.26 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-8-methylidenespiro[2.5]octane is sourced from PubChem (CID 20632853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).