cyclohexanecarbaldehyde;ethane;methanol

C10H22O2 — CID 144911027

IUPACcyclohexanecarbaldehyde;ethane;methanol
SMILESCC.CO.O=CC1CCCCC1
InChIInChI=1S/C7H12O.C2H6.CH4O/c8-6-7-4-2-1-3-5-7;2*1-2/h6-7H,1-5H2;1-2H3;2H,1H3
InChIKeyVDYVKTMMCBWMBF-UHFFFAOYSA-N
MW174.28 g/mol
LogP2.40
Rot. Bonds1

About cyclohexanecarbaldehyde;ethane;methanol

cyclohexanecarbaldehyde;ethane;methanol (PubChem CID 144911027) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is cyclohexanecarbaldehyde;ethane;methanol.

Molecular Properties

Compound Namecyclohexanecarbaldehyde;ethane;methanol
PubChem CID144911027
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Namecyclohexanecarbaldehyde;ethane;methanol
SMILESCC.CO.O=CC1CCCCC1
InChIInChI=1S/C7H12O.C2H6.CH4O/c8-6-7-4-2-1-3-5-7;2*1-2/h6-7H,1-5H2;1-2H3;2H,1H3
InChIKeyVDYVKTMMCBWMBF-UHFFFAOYSA-N
XLogP2.40
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cyclodecanecarbaldehyde
CID 13240747
cyclooctane-1,4-dicarbaldehyde
CID 19884381
cyclopentadecane-1,5-dicarbaldehyde
CID 135390185
carbanide;cyclopentane;cyclopentanecarbaldehyde;iron(2+)
CID 91654218
cyclooctane-1,5-dicarbaldehyde
CID 18542113
cyclobutanecarbaldehyde;ethane;N-methylmethanamine
CID 142148678
carbanide;cyclopentane;cyclopentanecarbaldehyde;ethane;ruthenium(2+)
CID 162292523
cyclohexanecarbaldehyde;dihydroxydiazene
CID 173217705
benzene;cyclohexanecarbaldehyde
CID 174845063
5-hydroxycyclononane-1-carbaldehyde
CID 90716773
cyclohexanecarbaldehyde;fluoroform
CID 156741172
cyclopentanecarbaldehyde;cyclopentylmethanol
CID 161180132

Frequently Asked Questions

What is the IUPAC name of cyclohexanecarbaldehyde;ethane;methanol?
The IUPAC name of cyclohexanecarbaldehyde;ethane;methanol (CID 144911027) is cyclohexanecarbaldehyde;ethane;methanol.
What is the SMILES notation for cyclohexanecarbaldehyde;ethane;methanol?
The canonical SMILES for cyclohexanecarbaldehyde;ethane;methanol is CC.CO.O=CC1CCCCC1.
What is the InChIKey of cyclohexanecarbaldehyde;ethane;methanol?
The InChIKey is VDYVKTMMCBWMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O.C2H6.CH4O/c8-6-7-4-2-1-3-5-7;2*1-2/h6-7H,1-5H2;1-2H3;2H,1H3.
What are the key properties of cyclohexanecarbaldehyde;ethane;methanol?
cyclohexanecarbaldehyde;ethane;methanol has a molecular weight of 174.28 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanecarbaldehyde;ethane;methanol is sourced from PubChem (CID 144911027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).