2-(4-methyl-4-phosphanylcyclohexyl)acetaldehyde

C9H17OP — CID 143745622

IUPAC2-(4-methyl-4-phosphanylcyclohexyl)acetaldehyde
SMILESCC1(P)CCC(CC=O)CC1
InChIInChI=1S/C9H17OP/c1-9(11)5-2-8(3-6-9)4-7-10/h7-8H,2-6,11H2,1H3
InChIKeyHGWCFTMWRUAFEI-UHFFFAOYSA-N
MW172.21 g/mol
LogP2.40
Rot. Bonds2

About 2-(4-methyl-4-phosphanylcyclohexyl)acetaldehyde

2-(4-methyl-4-phosphanylcyclohexyl)acetaldehyde (PubChem CID 143745622) has the molecular formula C9H17OP and a molecular weight of 172.21 g/mol. Its IUPAC name is 2-(4-methyl-4-phosphanylcyclohexyl)acetaldehyde.

Molecular Properties

Compound Name2-(4-methyl-4-phosphanylcyclohexyl)acetaldehyde
PubChem CID143745622
Molecular FormulaC9H17OP
Molecular Weight172.21 g/mol
Exact Mass172.10
IUPAC Name2-(4-methyl-4-phosphanylcyclohexyl)acetaldehyde
SMILESCC1(P)CCC(CC=O)CC1
InChIInChI=1S/C9H17OP/c1-9(11)5-2-8(3-6-9)4-7-10/h7-8H,2-6,11H2,1H3
InChIKeyHGWCFTMWRUAFEI-UHFFFAOYSA-N
XLogP2.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(3-hydroxy-3-methylcyclobutyl)acetaldehyde
CID 171787083
2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]acetaldehyde
CID 89354999
2-(1-acetylborinan-4-yl)acetaldehyde
CID 142880765
2-[4-(tert-butylamino)cyclohexyl]acetaldehyde
CID 175732114
2-(oxan-4-yl)acetaldehyde;propane
CID 145213291
2-piperidin-4-ylacetaldehyde
CID 23401441
2-[1-(3,3-difluorobutyl)piperidin-4-yl]acetaldehyde
CID 84684721
2-[4-(ethylaminomethyl)cyclohexyl]acetaldehyde
CID 87141647
2-cyclohexylacetaldehyde;rubidium(1+)
CID 59915756
2-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetaldehyde
CID 14365455
[1,4,7-trimethyl-4,7-bis(phosphanyl)cyclononyl]phosphane
CID 18974584
2-(1-pentylpiperidin-4-yl)acetaldehyde
CID 88843221

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-4-phosphanylcyclohexyl)acetaldehyde?
The IUPAC name of 2-(4-methyl-4-phosphanylcyclohexyl)acetaldehyde (CID 143745622) is 2-(4-methyl-4-phosphanylcyclohexyl)acetaldehyde.
What is the SMILES notation for 2-(4-methyl-4-phosphanylcyclohexyl)acetaldehyde?
The canonical SMILES for 2-(4-methyl-4-phosphanylcyclohexyl)acetaldehyde is CC1(P)CCC(CC=O)CC1.
What is the InChIKey of 2-(4-methyl-4-phosphanylcyclohexyl)acetaldehyde?
The InChIKey is HGWCFTMWRUAFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17OP/c1-9(11)5-2-8(3-6-9)4-7-10/h7-8H,2-6,11H2,1H3.
What are the key properties of 2-(4-methyl-4-phosphanylcyclohexyl)acetaldehyde?
2-(4-methyl-4-phosphanylcyclohexyl)acetaldehyde has a molecular weight of 172.21 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-4-phosphanylcyclohexyl)acetaldehyde is sourced from PubChem (CID 143745622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).