5-butan-2-yl-5-methyloxolane-2-carbaldehyde

C10H18O2 — CID 130584458

IUPAC5-butan-2-yl-5-methyloxolane-2-carbaldehyde
SMILESCCC(C)C1(C)CCC(C=O)O1
InChIInChI=1S/C10H18O2/c1-4-8(2)10(3)6-5-9(7-11)12-10/h7-9H,4-6H2,1-3H3
InChIKeyMZLHISWJTGLGFN-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.17
Rot. Bonds3

About 5-butan-2-yl-5-methyloxolane-2-carbaldehyde

5-butan-2-yl-5-methyloxolane-2-carbaldehyde (PubChem CID 130584458) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 5-butan-2-yl-5-methyloxolane-2-carbaldehyde.

Molecular Properties

Compound Name5-butan-2-yl-5-methyloxolane-2-carbaldehyde
PubChem CID130584458
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name5-butan-2-yl-5-methyloxolane-2-carbaldehyde
SMILESCCC(C)C1(C)CCC(C=O)O1
InChIInChI=1S/C10H18O2/c1-4-8(2)10(3)6-5-9(7-11)12-10/h7-9H,4-6H2,1-3H3
InChIKeyMZLHISWJTGLGFN-UHFFFAOYSA-N
XLogP2.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.17
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

8-ethyl-1-oxaspiro[4.5]decane-2-carbaldehyde
CID 130584550
(3S)-6,6-dimethyldioxane-3-carbaldehyde
CID 101485690
2,2-dimethyl-1,3-dioxane-4-carbaldehyde
CID 10953638
1,8-dioxaspiro[4.5]decane-2-carbaldehyde
CID 130584482
(3R)-2,2,3-trimethyl-3-(6-methylheptan-2-yl)cyclopentane-1-carbaldehyde
CID 143211180
3-ethyl-6-oxaspiro[4.5]decane-7-carbaldehyde
CID 130585007
(4S,6S)-6-ethyl-2,2-dimethyl-1,3-dioxane-4-carbaldehyde
CID 59093862
1-butan-2-yl-1-methylcyclobutane;ethane
CID 167444741
1-butan-2-yl-4-methylcyclohexane-1-carboxylic acid
CID 79424984
CID 174098586
CID 174098586
1-butan-2-yl-4-propan-2-ylcyclohexan-1-ol
CID 79444321
3-methyl-5-oxaspiro[3.5]nonane-6-carbaldehyde
CID 130584919

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-5-methyloxolane-2-carbaldehyde?
The IUPAC name of 5-butan-2-yl-5-methyloxolane-2-carbaldehyde (CID 130584458) is 5-butan-2-yl-5-methyloxolane-2-carbaldehyde.
What is the SMILES notation for 5-butan-2-yl-5-methyloxolane-2-carbaldehyde?
The canonical SMILES for 5-butan-2-yl-5-methyloxolane-2-carbaldehyde is CCC(C)C1(C)CCC(C=O)O1.
What is the InChIKey of 5-butan-2-yl-5-methyloxolane-2-carbaldehyde?
The InChIKey is MZLHISWJTGLGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-4-8(2)10(3)6-5-9(7-11)12-10/h7-9H,4-6H2,1-3H3.
What are the key properties of 5-butan-2-yl-5-methyloxolane-2-carbaldehyde?
5-butan-2-yl-5-methyloxolane-2-carbaldehyde has a molecular weight of 170.25 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-5-methyloxolane-2-carbaldehyde is sourced from PubChem (CID 130584458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).