(6R)-1,4-dioxaspiro[4.5]decane-6-carbaldehyde;pentane

C14H26O3 — CID 168910128

IUPAC(6R)-1,4-dioxaspiro[4.5]decane-6-carbaldehyde;pentane
SMILESCCCCC.O=C[C@H]1CCCCC12OCCO2
InChIInChI=1S/C9H14O3.C5H12/c10-7-8-3-1-2-4-9(8)11-5-6-12-9;1-3-5-4-2/h7-8H,1-6H2;3-5H2,1-2H3/t8-;/m1./s1
InChIKeyVRGFTRMMCJKNHW-DDWIOCJRSA-N
MW242.36 g/mol
LogP3.32
Rot. Bonds3

About (6R)-1,4-dioxaspiro[4.5]decane-6-carbaldehyde;pentane

(6R)-1,4-dioxaspiro[4.5]decane-6-carbaldehyde;pentane (PubChem CID 168910128) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is (6R)-1,4-dioxaspiro[4.5]decane-6-carbaldehyde;pentane.

Molecular Properties

Compound Name(6R)-1,4-dioxaspiro[4.5]decane-6-carbaldehyde;pentane
PubChem CID168910128
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name(6R)-1,4-dioxaspiro[4.5]decane-6-carbaldehyde;pentane
SMILESCCCCC.O=C[C@H]1CCCCC12OCCO2
InChIInChI=1S/C9H14O3.C5H12/c10-7-8-3-1-2-4-9(8)11-5-6-12-9;1-3-5-4-2/h7-8H,1-6H2;3-5H2,1-2H3/t8-;/m1./s1
InChIKeyVRGFTRMMCJKNHW-DDWIOCJRSA-N
XLogP3.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.32
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

2,2-diethylcyclododecane-1-carbaldehyde
CID 138734451
2-(1,4-dioxaspiro[4.5]decan-6-yl)-N,N-dimethylacetamide
CID 121001643
(6R)-6-bromo-1,4-dioxaspiro[4.7]dodecane
CID 98041196
2,2-dimethylcycloheptane-1-carbaldehyde
CID 138734461
6-(2-methylbutan-2-yl)-1,4-dioxaspiro[4.5]decane
CID 122595932
1-(1,4-dioxaspiro[4.4]nonan-9-yl)octan-3-one
CID 152746966
lithium;butane;(1'R,5'R,6'S)-6'-ethenylspiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane];(1'R,5'R,6'S)-spiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane]-6'-carbaldehyde
CID 159067322
8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene-1-carbaldehyde
CID 130035655
lithium;butane;(1'R,5'R,6'S)-6'-prop-1-enylspiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane];(1'R,5'R,6'S)-spiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane]-6'-carbaldehyde
CID 157454016
(8S,9R)-8-methyl-9-pentyl-1,4-dioxaspiro[4.4]nonane
CID 154944031
1,4-dioxaspiro[4.6]undecane-6-carboxylic acid
CID 131629776
ethyl (E)-5-(1,4-dioxaspiro[4.5]decan-6-yl)pent-2-enoate
CID 10423166

Frequently Asked Questions

What is the IUPAC name of (6R)-1,4-dioxaspiro[4.5]decane-6-carbaldehyde;pentane?
The IUPAC name of (6R)-1,4-dioxaspiro[4.5]decane-6-carbaldehyde;pentane (CID 168910128) is (6R)-1,4-dioxaspiro[4.5]decane-6-carbaldehyde;pentane.
What is the SMILES notation for (6R)-1,4-dioxaspiro[4.5]decane-6-carbaldehyde;pentane?
The canonical SMILES for (6R)-1,4-dioxaspiro[4.5]decane-6-carbaldehyde;pentane is CCCCC.O=C[C@H]1CCCCC12OCCO2.
What is the InChIKey of (6R)-1,4-dioxaspiro[4.5]decane-6-carbaldehyde;pentane?
The InChIKey is VRGFTRMMCJKNHW-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H14O3.C5H12/c10-7-8-3-1-2-4-9(8)11-5-6-12-9;1-3-5-4-2/h7-8H,1-6H2;3-5H2,1-2H3/t8-;/m1./s1.
What are the key properties of (6R)-1,4-dioxaspiro[4.5]decane-6-carbaldehyde;pentane?
(6R)-1,4-dioxaspiro[4.5]decane-6-carbaldehyde;pentane has a molecular weight of 242.36 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1,4-dioxaspiro[4.5]decane-6-carbaldehyde;pentane is sourced from PubChem (CID 168910128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).