1-(4-hydroxyoxolan-3-yl)cyclohexane-1-carbaldehyde

C11H18O3 — CID 130632297

IUPAC1-(4-hydroxyoxolan-3-yl)cyclohexane-1-carbaldehyde
SMILESO=CC1(C2COCC2O)CCCCC1
InChIInChI=1S/C11H18O3/c12-8-11(4-2-1-3-5-11)9-6-14-7-10(9)13/h8-10,13H,1-7H2
InChIKeyDFHKFEMIWVUNMZ-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.14
Rot. Bonds2

About 1-(4-hydroxyoxolan-3-yl)cyclohexane-1-carbaldehyde

1-(4-hydroxyoxolan-3-yl)cyclohexane-1-carbaldehyde (PubChem CID 130632297) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 1-(4-hydroxyoxolan-3-yl)cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name1-(4-hydroxyoxolan-3-yl)cyclohexane-1-carbaldehyde
PubChem CID130632297
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name1-(4-hydroxyoxolan-3-yl)cyclohexane-1-carbaldehyde
SMILESO=CC1(C2COCC2O)CCCCC1
InChIInChI=1S/C11H18O3/c12-8-11(4-2-1-3-5-11)9-6-14-7-10(9)13/h8-10,13H,1-7H2
InChIKeyDFHKFEMIWVUNMZ-UHFFFAOYSA-N
XLogP1.14
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-hydroxyoxolan-3-yl)cyclopropane-1-carbaldehyde
CID 131165194
3-(4-hydroxyoxolan-3-yl)oxolane-3-carbaldehyde
CID 131209892
1-(2-hydroxycyclopentyl)cyclopropane-1-carbaldehyde
CID 130646380
1-cyclopropylcyclopentane-1-carbaldehyde
CID 131143275
1-cyclohexylcyclohexane-1-carbaldehyde
CID 21479214
N-(4-hydroxyoxolan-3-yl)formamide
CID 127001792
4-[1-(aminomethyl)-2-hydroxycyclopentyl]oxolan-3-ol
CID 130514761
4-chlorooxolan-3-ol;formic acid
CID 71345549
1-propan-2-ylcycloheptane-1-carbaldehyde
CID 130026144
1-hydroxycyclooctane-1-carbaldehyde
CID 130025311
2-(4-hydroxyoxolan-3-yl)-2-methylbutanal
CID 130721010
2-(1-ethenylcyclohexyl)oxirane
CID 12634646

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyoxolan-3-yl)cyclohexane-1-carbaldehyde?
The IUPAC name of 1-(4-hydroxyoxolan-3-yl)cyclohexane-1-carbaldehyde (CID 130632297) is 1-(4-hydroxyoxolan-3-yl)cyclohexane-1-carbaldehyde.
What is the SMILES notation for 1-(4-hydroxyoxolan-3-yl)cyclohexane-1-carbaldehyde?
The canonical SMILES for 1-(4-hydroxyoxolan-3-yl)cyclohexane-1-carbaldehyde is O=CC1(C2COCC2O)CCCCC1.
What is the InChIKey of 1-(4-hydroxyoxolan-3-yl)cyclohexane-1-carbaldehyde?
The InChIKey is DFHKFEMIWVUNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c12-8-11(4-2-1-3-5-11)9-6-14-7-10(9)13/h8-10,13H,1-7H2.
What are the key properties of 1-(4-hydroxyoxolan-3-yl)cyclohexane-1-carbaldehyde?
1-(4-hydroxyoxolan-3-yl)cyclohexane-1-carbaldehyde has a molecular weight of 198.26 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyoxolan-3-yl)cyclohexane-1-carbaldehyde is sourced from PubChem (CID 130632297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).