7-ethyl-2-methyl-1,8-dioxaspiro[4.5]decane-2-carbaldehyde

C12H20O3 — CID 130584826

IUPAC7-ethyl-2-methyl-1,8-dioxaspiro[4.5]decane-2-carbaldehyde
SMILESCCC1CC2(CCO1)CCC(C)(C=O)O2
InChIInChI=1S/C12H20O3/c1-3-10-8-12(6-7-14-10)5-4-11(2,9-13)15-12/h9-10H,3-8H2,1-2H3
InChIKeyZISSZZBVLUTUJI-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.08
Rot. Bonds2

About 7-ethyl-2-methyl-1,8-dioxaspiro[4.5]decane-2-carbaldehyde

7-ethyl-2-methyl-1,8-dioxaspiro[4.5]decane-2-carbaldehyde (PubChem CID 130584826) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 7-ethyl-2-methyl-1,8-dioxaspiro[4.5]decane-2-carbaldehyde.

Molecular Properties

Compound Name7-ethyl-2-methyl-1,8-dioxaspiro[4.5]decane-2-carbaldehyde
PubChem CID130584826
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name7-ethyl-2-methyl-1,8-dioxaspiro[4.5]decane-2-carbaldehyde
SMILESCCC1CC2(CCO1)CCC(C)(C=O)O2
InChIInChI=1S/C12H20O3/c1-3-10-8-12(6-7-14-10)5-4-11(2,9-13)15-12/h9-10H,3-8H2,1-2H3
InChIKeyZISSZZBVLUTUJI-UHFFFAOYSA-N
XLogP2.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(bromomethyl)-7-ethyl-2-methyl-1,8-dioxaspiro[4.5]decane
CID 130583037
10-ethyl-2-methyl-1,9-dioxa-4-azaspiro[5.5]undecane
CID 65122462
4-(difluoromethyl)-2-ethyloxan-4-amine
CID 80605249
2-[2-ethyl-4-(ethylamino)oxan-4-yl]acetamide
CID 65234241
(2S,4R)-4-methyl-2-propyloxan-4-ol
CID 45083243
4-(difluoromethyl)-2-ethyl-N-propyloxan-4-amine
CID 80605526
2-ethyl-4-(1-oxaspiro[5.5]undecan-4-yl)oxan-4-ol
CID 79912831
4-methyl-2-(2-methylpropyl)oxan-4-ol
CID 3017432
3-ethyl-2-oxaspiro[4.5]decane
CID 102162651
2,7-dimethyl-1,8-dioxaspiro[4.5]decane-2-carboxylic acid
CID 130585344
4-(aminomethyl)-2-ethyl-N-(2-methylprop-2-enyl)oxan-4-amine
CID 114616093
2,9-dimethyl-1-oxaspiro[4.4]nonane-2-carbaldehyde
CID 130584870

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-methyl-1,8-dioxaspiro[4.5]decane-2-carbaldehyde?
The IUPAC name of 7-ethyl-2-methyl-1,8-dioxaspiro[4.5]decane-2-carbaldehyde (CID 130584826) is 7-ethyl-2-methyl-1,8-dioxaspiro[4.5]decane-2-carbaldehyde.
What is the SMILES notation for 7-ethyl-2-methyl-1,8-dioxaspiro[4.5]decane-2-carbaldehyde?
The canonical SMILES for 7-ethyl-2-methyl-1,8-dioxaspiro[4.5]decane-2-carbaldehyde is CCC1CC2(CCO1)CCC(C)(C=O)O2.
What is the InChIKey of 7-ethyl-2-methyl-1,8-dioxaspiro[4.5]decane-2-carbaldehyde?
The InChIKey is ZISSZZBVLUTUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-3-10-8-12(6-7-14-10)5-4-11(2,9-13)15-12/h9-10H,3-8H2,1-2H3.
What are the key properties of 7-ethyl-2-methyl-1,8-dioxaspiro[4.5]decane-2-carbaldehyde?
7-ethyl-2-methyl-1,8-dioxaspiro[4.5]decane-2-carbaldehyde has a molecular weight of 212.29 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2-methyl-1,8-dioxaspiro[4.5]decane-2-carbaldehyde is sourced from PubChem (CID 130584826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).