(3Z)-3-(methoxymethylidene)-7-oxaspiro[3.5]nonane

C10H16O2 — CID 163277602

IUPAC(3Z)-3-(methoxymethylidene)-7-oxaspiro[3.5]nonane
SMILESCO/C=C1/CCC12CCOCC2
InChIInChI=1S/C10H16O2/c1-11-8-9-2-3-10(9)4-6-12-7-5-10/h8H,2-7H2,1H3/b9-8-
InChIKeyMPKWGOPKGKEJRR-HJWRWDBZSA-N
MW168.24 g/mol
LogP2.11
Rot. Bonds1

About (3Z)-3-(methoxymethylidene)-7-oxaspiro[3.5]nonane

(3Z)-3-(methoxymethylidene)-7-oxaspiro[3.5]nonane (PubChem CID 163277602) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (3Z)-3-(methoxymethylidene)-7-oxaspiro[3.5]nonane.

Molecular Properties

Compound Name(3Z)-3-(methoxymethylidene)-7-oxaspiro[3.5]nonane
PubChem CID163277602
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(3Z)-3-(methoxymethylidene)-7-oxaspiro[3.5]nonane
SMILESCO/C=C1/CCC12CCOCC2
InChIInChI=1S/C10H16O2/c1-11-8-9-2-3-10(9)4-6-12-7-5-10/h8H,2-7H2,1H3/b9-8-
InChIKeyMPKWGOPKGKEJRR-HJWRWDBZSA-N
XLogP2.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

9-Prop-1-en-2-yl-6-oxaspiro[3.5]nonane
CID 134357651
3-(Methoxymethylidene)-7-oxaspiro[3.5]nonane
CID 163277760
3-(Cyclohexylidenemethoxymethyl)-3-ethyloxane
CID 176603231
3-[3-(Cyclohexylidenemethoxy)propyl]-3-ethyloxetane
CID 176603255
4-[3-(Cyclohexylidenemethoxy)propyl]-4-ethyloxane
CID 176603273
4-[3-(Cyclopentylidenemethoxy)propyl]-4-ethyloxane
CID 176603595
4-Ethyl-4-[3-(2-methylprop-1-enoxy)propyl]oxane
CID 176604638
3-(Cyclopentylidenemethoxymethyl)-3-ethyloxane
CID 176604666
4-(Cyclohexylidenemethoxymethyl)-4-ethyloxane
CID 176604688
4-(Cyclohexylidenemethoxymethyl)-4-methyloxane
CID 176604962
3-[2-(Cyclopentylidenemethoxy)ethyl]-3-methyloxane
CID 176605084
3-Methyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxane
CID 176605137

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(methoxymethylidene)-7-oxaspiro[3.5]nonane?
The IUPAC name of (3Z)-3-(methoxymethylidene)-7-oxaspiro[3.5]nonane (CID 163277602) is (3Z)-3-(methoxymethylidene)-7-oxaspiro[3.5]nonane.
What is the SMILES notation for (3Z)-3-(methoxymethylidene)-7-oxaspiro[3.5]nonane?
The canonical SMILES for (3Z)-3-(methoxymethylidene)-7-oxaspiro[3.5]nonane is CO/C=C1/CCC12CCOCC2.
What is the InChIKey of (3Z)-3-(methoxymethylidene)-7-oxaspiro[3.5]nonane?
The InChIKey is MPKWGOPKGKEJRR-HJWRWDBZSA-N. The full InChI is InChI=1S/C10H16O2/c1-11-8-9-2-3-10(9)4-6-12-7-5-10/h8H,2-7H2,1H3/b9-8-.
What are the key properties of (3Z)-3-(methoxymethylidene)-7-oxaspiro[3.5]nonane?
(3Z)-3-(methoxymethylidene)-7-oxaspiro[3.5]nonane has a molecular weight of 168.24 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(methoxymethylidene)-7-oxaspiro[3.5]nonane is sourced from PubChem (CID 163277602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).