2,9-dimethyl-1-oxaspiro[4.4]nonane-2-carbaldehyde

C11H18O2 — CID 130584870

IUPAC2,9-dimethyl-1-oxaspiro[4.4]nonane-2-carbaldehyde
SMILESCC1CCCC12CCC(C)(C=O)O2
InChIInChI=1S/C11H18O2/c1-9-4-3-5-11(9)7-6-10(2,8-12)13-11/h8-9H,3-7H2,1-2H3
InChIKeyKPTNDYSDEJHMRN-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.31
Rot. Bonds1

About 2,9-dimethyl-1-oxaspiro[4.4]nonane-2-carbaldehyde

2,9-dimethyl-1-oxaspiro[4.4]nonane-2-carbaldehyde (PubChem CID 130584870) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2,9-dimethyl-1-oxaspiro[4.4]nonane-2-carbaldehyde.

Molecular Properties

Compound Name2,9-dimethyl-1-oxaspiro[4.4]nonane-2-carbaldehyde
PubChem CID130584870
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2,9-dimethyl-1-oxaspiro[4.4]nonane-2-carbaldehyde
SMILESCC1CCCC12CCC(C)(C=O)O2
InChIInChI=1S/C11H18O2/c1-9-4-3-5-11(9)7-6-10(2,8-12)13-11/h8-9H,3-7H2,1-2H3
InChIKeyKPTNDYSDEJHMRN-UHFFFAOYSA-N
XLogP2.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4S,5R,7S)-4,7-dimethyl-6-oxaspiro[4.5]decane
CID 102399716
3-methyl-5-oxaspiro[3.5]nonane-6-carbaldehyde
CID 130584919
cis-(1R,2S)-1,2-dimethylcyclohexane-1-carbaldehyde
CID 131195965
1,2-dimethylcycloundecane-1-carbaldehyde
CID 138734446
(1,2-dimethylcyclopentyl)-trimethylsilane
CID 175194717
2-methyl-1-propylcyclopentane-1-carbaldehyde
CID 130655342
5'-(iodomethyl)-5'-methylspiro[bicyclo[4.1.0]heptane-2,2'-oxolane]
CID 130583136
1-methoxy-2-methylcyclohexane-1-carbaldehyde
CID 130743446
(9R)-7,7,13-trimethyl-6,8-dioxatricyclo[7.4.0.01,5]tridecane
CID 135037220
1-(4-methylcyclohexyl)cyclobutane-1-carbaldehyde
CID 130700511
trans-(1R,2S)-1,2-dimethylcyclopentan-1-ol
CID 13057535
2-methyl-5-(oxolan-2-yl)oxolane-2-carbaldehyde
CID 130584802

Frequently Asked Questions

What is the IUPAC name of 2,9-dimethyl-1-oxaspiro[4.4]nonane-2-carbaldehyde?
The IUPAC name of 2,9-dimethyl-1-oxaspiro[4.4]nonane-2-carbaldehyde (CID 130584870) is 2,9-dimethyl-1-oxaspiro[4.4]nonane-2-carbaldehyde.
What is the SMILES notation for 2,9-dimethyl-1-oxaspiro[4.4]nonane-2-carbaldehyde?
The canonical SMILES for 2,9-dimethyl-1-oxaspiro[4.4]nonane-2-carbaldehyde is CC1CCCC12CCC(C)(C=O)O2.
What is the InChIKey of 2,9-dimethyl-1-oxaspiro[4.4]nonane-2-carbaldehyde?
The InChIKey is KPTNDYSDEJHMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-9-4-3-5-11(9)7-6-10(2,8-12)13-11/h8-9H,3-7H2,1-2H3.
What are the key properties of 2,9-dimethyl-1-oxaspiro[4.4]nonane-2-carbaldehyde?
2,9-dimethyl-1-oxaspiro[4.4]nonane-2-carbaldehyde has a molecular weight of 182.26 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dimethyl-1-oxaspiro[4.4]nonane-2-carbaldehyde is sourced from PubChem (CID 130584870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).