4-[3-(4-methoxycyclohexyl)propyl]cyclohexane-1,1-dicarbaldehyde

C18H30O3 — CID 89253657

IUPAC4-[3-(4-methoxycyclohexyl)propyl]cyclohexane-1,1-dicarbaldehyde
SMILESCOC1CCC(CCCC2CCC(C=O)(C=O)CC2)CC1
InChIInChI=1S/C18H30O3/c1-21-17-7-5-15(6-8-17)3-2-4-16-9-11-18(13-19,14-20)12-10-16/h13-17H,2-12H2,1H3
InChIKeyBQLGDMUZPHSONG-UHFFFAOYSA-N
MW294.43 g/mol
LogP3.94
Rot. Bonds7

About 4-[3-(4-methoxycyclohexyl)propyl]cyclohexane-1,1-dicarbaldehyde

4-[3-(4-methoxycyclohexyl)propyl]cyclohexane-1,1-dicarbaldehyde (PubChem CID 89253657) has the molecular formula C18H30O3 and a molecular weight of 294.43 g/mol. Its IUPAC name is 4-[3-(4-methoxycyclohexyl)propyl]cyclohexane-1,1-dicarbaldehyde.

Molecular Properties

Compound Name4-[3-(4-methoxycyclohexyl)propyl]cyclohexane-1,1-dicarbaldehyde
PubChem CID89253657
Molecular FormulaC18H30O3
Molecular Weight294.43 g/mol
Exact Mass294.22
IUPAC Name4-[3-(4-methoxycyclohexyl)propyl]cyclohexane-1,1-dicarbaldehyde
SMILESCOC1CCC(CCCC2CCC(C=O)(C=O)CC2)CC1
InChIInChI=1S/C18H30O3/c1-21-17-7-5-15(6-8-17)3-2-4-16-9-11-18(13-19,14-20)12-10-16/h13-17H,2-12H2,1H3
InChIKeyBQLGDMUZPHSONG-UHFFFAOYSA-N
XLogP3.94
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.43
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 4-[3-(4-methoxycyclohexyl)propyl]cyclohexane-1,1-dicarbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(Z)-hex-4-enyl]-4-[2-(4-methoxycyclohexyl)ethyl]cyclohexane
CID 67806063
[1-(4-methoxycyclohexyl)-3-oxopropan-2-yl]azanium chloride
CID 91755289
4-(4-methoxycyclohexyl)butyl 2-methylprop-2-enoate
CID 139896779
1-[3-(4-methoxycyclohexyl)propyl]-4-methylpiperazine
CID 170569555
2-(4-methoxycyclohexyl)-N-methylethanamine
CID 84731947
1-methoxy-4-(3-methylbutyl)cyclohexane
CID 167069345
1-but-3-enyl-4-(4-methoxycyclohexyl)cyclohexane
CID 19380394
(4-pentylcyclohexyl) formate
CID 57022006
1-(2-isocyanatoethyl)-4-methoxycyclohexane
CID 84769134
1-[4-[2-(4-methoxycyclohexyl)propan-2-yl]cyclohexyl]propan-2-one
CID 66804444
[4-(4-butylcyclohexyl)cyclohexyl] formate
CID 87629999
methyl 3-(4-methoxycyclohexyl)-2-oxopropanoate
CID 18370485

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methoxycyclohexyl)propyl]cyclohexane-1,1-dicarbaldehyde?
The IUPAC name of 4-[3-(4-methoxycyclohexyl)propyl]cyclohexane-1,1-dicarbaldehyde (CID 89253657) is 4-[3-(4-methoxycyclohexyl)propyl]cyclohexane-1,1-dicarbaldehyde.
What is the SMILES notation for 4-[3-(4-methoxycyclohexyl)propyl]cyclohexane-1,1-dicarbaldehyde?
The canonical SMILES for 4-[3-(4-methoxycyclohexyl)propyl]cyclohexane-1,1-dicarbaldehyde is COC1CCC(CCCC2CCC(C=O)(C=O)CC2)CC1.
What is the InChIKey of 4-[3-(4-methoxycyclohexyl)propyl]cyclohexane-1,1-dicarbaldehyde?
The InChIKey is BQLGDMUZPHSONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O3/c1-21-17-7-5-15(6-8-17)3-2-4-16-9-11-18(13-19,14-20)12-10-16/h13-17H,2-12H2,1H3.
What are the key properties of 4-[3-(4-methoxycyclohexyl)propyl]cyclohexane-1,1-dicarbaldehyde?
4-[3-(4-methoxycyclohexyl)propyl]cyclohexane-1,1-dicarbaldehyde has a molecular weight of 294.43 g/mol, XLogP of 3.94, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methoxycyclohexyl)propyl]cyclohexane-1,1-dicarbaldehyde is sourced from PubChem (CID 89253657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).