3-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)-7-oxabicyclo[4.1.0]heptane-3-carbaldehyde

C14H20O3 — CID 173093624

IUPAC3-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)-7-oxabicyclo[4.1.0]heptane-3-carbaldehyde
SMILESO=CC1(CC2CCC3OC3C2)CCC2OC2C1
InChIInChI=1S/C14H20O3/c15-8-14(4-3-11-13(7-14)17-11)6-9-1-2-10-12(5-9)16-10/h8-13H,1-7H2
InChIKeyWYLMOZWIOYCDEV-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.08
Rot. Bonds3

About 3-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)-7-oxabicyclo[4.1.0]heptane-3-carbaldehyde

3-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)-7-oxabicyclo[4.1.0]heptane-3-carbaldehyde (PubChem CID 173093624) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)-7-oxabicyclo[4.1.0]heptane-3-carbaldehyde.

Molecular Properties

Compound Name3-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)-7-oxabicyclo[4.1.0]heptane-3-carbaldehyde
PubChem CID173093624
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name3-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)-7-oxabicyclo[4.1.0]heptane-3-carbaldehyde
SMILESO=CC1(CC2CCC3OC3C2)CCC2OC2C1
InChIInChI=1S/C14H20O3/c15-8-14(4-3-11-13(7-14)17-11)6-9-1-2-10-12(5-9)16-10/h8-13H,1-7H2
InChIKeyWYLMOZWIOYCDEV-UHFFFAOYSA-N
XLogP2.08
TPSA42.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,3-bis(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)-7-oxabicyclo[4.1.0]heptane;1,3-dioxane
CID 175340624
3,4-dimethyl-3-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)-7-oxabicyclo[4.1.0]heptane
CID 57084150
3-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-7-oxabicyclo[4.1.0]heptane-3-carboxylic acid
CID 87435740
CID 45052171
CID 45052171
1-(7-oxabicyclo[4.1.0]heptan-3-yl)pent-4-ene-2,3-dione
CID 129155339
3-[[3-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)spiro[5.5]undecan-3-yl]methyl]-7-oxabicyclo[4.1.0]heptane
CID 139929534
3-[5-(7-oxabicyclo[4.1.0]heptan-3-yl)pentyl]-7-oxabicyclo[4.1.0]heptane-3-carboxylic acid
CID 23148596
3,3-dimethyl-4-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)-7-oxabicyclo[4.1.0]heptane
CID 20508832
(Z)-2,3-bis(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)but-2-enedioate
CID 19073318
1,2-bis(7-oxabicyclo[4.1.0]heptan-3-yl)ethanone
CID 54560266
3-(7-oxabicyclo[4.1.0]heptan-3-yl)-1-[4-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)-2-oxopropanoyl]-7-oxabicyclo[4.1.0]heptan-3-yl]propane-1,2-dione
CID 20707299
1-(cyclohexylmethyl)cyclopropane-1-carbaldehyde
CID 130729334

Frequently Asked Questions

What is the IUPAC name of 3-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)-7-oxabicyclo[4.1.0]heptane-3-carbaldehyde?
The IUPAC name of 3-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)-7-oxabicyclo[4.1.0]heptane-3-carbaldehyde (CID 173093624) is 3-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)-7-oxabicyclo[4.1.0]heptane-3-carbaldehyde.
What is the SMILES notation for 3-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)-7-oxabicyclo[4.1.0]heptane-3-carbaldehyde?
The canonical SMILES for 3-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)-7-oxabicyclo[4.1.0]heptane-3-carbaldehyde is O=CC1(CC2CCC3OC3C2)CCC2OC2C1.
What is the InChIKey of 3-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)-7-oxabicyclo[4.1.0]heptane-3-carbaldehyde?
The InChIKey is WYLMOZWIOYCDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c15-8-14(4-3-11-13(7-14)17-11)6-9-1-2-10-12(5-9)16-10/h8-13H,1-7H2.
What are the key properties of 3-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)-7-oxabicyclo[4.1.0]heptane-3-carbaldehyde?
3-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)-7-oxabicyclo[4.1.0]heptane-3-carbaldehyde has a molecular weight of 236.31 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)-7-oxabicyclo[4.1.0]heptane-3-carbaldehyde is sourced from PubChem (CID 173093624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).