1-(6-methoxyhexoxymethyl)-4-propylcyclohexane

C17H34O2 — CID 126699392

IUPAC1-(6-methoxyhexoxymethyl)-4-propylcyclohexane
SMILESCCCC1CCC(COCCCCCCOC)CC1
InChIInChI=1S/C17H34O2/c1-3-8-16-9-11-17(12-10-16)15-19-14-7-5-4-6-13-18-2/h16-17H,3-15H2,1-2H3
InChIKeyWXZGZKMPNPGKDQ-UHFFFAOYSA-N
MW270.46 g/mol
LogP4.82
Rot. Bonds11

About 1-(6-methoxyhexoxymethyl)-4-propylcyclohexane

1-(6-methoxyhexoxymethyl)-4-propylcyclohexane (PubChem CID 126699392) has the molecular formula C17H34O2 and a molecular weight of 270.46 g/mol. Its IUPAC name is 1-(6-methoxyhexoxymethyl)-4-propylcyclohexane.

Molecular Properties

Compound Name1-(6-methoxyhexoxymethyl)-4-propylcyclohexane
PubChem CID126699392
Molecular FormulaC17H34O2
Molecular Weight270.46 g/mol
Exact Mass270.26
IUPAC Name1-(6-methoxyhexoxymethyl)-4-propylcyclohexane
SMILESCCCC1CCC(COCCCCCCOC)CC1
InChIInChI=1S/C17H34O2/c1-3-8-16-9-11-17(12-10-16)15-19-14-7-5-4-6-13-18-2/h16-17H,3-15H2,1-2H3
InChIKeyWXZGZKMPNPGKDQ-UHFFFAOYSA-N
XLogP4.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,4-Bis(ethoxymethyl)cyclohexane
CID 565573
4-(Methoxymethyl)-4'-pentyl-1,1'-bi(cyclohexane)
CID 565313
11-(Butoxymethyl)tricosane
CID 87842016
2-Hexyldecyl octylether
CID 15032029
1,1'-Bicyclohexyl, 4-(methoxymethyl)-4'-propyl-
CID 565325
2-Decyltetradecyl ether
CID 22269547
Phytanyl ether
CID 22715350
Bis(3,7-dimethyl-1-octyl) ether
CID 85776278
11-(Hexoxymethyl)tricosane
CID 87840220
trans-7-(Methoxymethyl)menthane
CID 91441021
7-{[(2-Hexyldecyl)oxy]methyl}pentadecane
CID 15032028
1-(2-Fluoroethyl)-4-(methoxymethyl)cyclohexane
CID 18343976

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxyhexoxymethyl)-4-propylcyclohexane?
The IUPAC name of 1-(6-methoxyhexoxymethyl)-4-propylcyclohexane (CID 126699392) is 1-(6-methoxyhexoxymethyl)-4-propylcyclohexane.
What is the SMILES notation for 1-(6-methoxyhexoxymethyl)-4-propylcyclohexane?
The canonical SMILES for 1-(6-methoxyhexoxymethyl)-4-propylcyclohexane is CCCC1CCC(COCCCCCCOC)CC1.
What is the InChIKey of 1-(6-methoxyhexoxymethyl)-4-propylcyclohexane?
The InChIKey is WXZGZKMPNPGKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O2/c1-3-8-16-9-11-17(12-10-16)15-19-14-7-5-4-6-13-18-2/h16-17H,3-15H2,1-2H3.
What are the key properties of 1-(6-methoxyhexoxymethyl)-4-propylcyclohexane?
1-(6-methoxyhexoxymethyl)-4-propylcyclohexane has a molecular weight of 270.46 g/mol, XLogP of 4.82, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxyhexoxymethyl)-4-propylcyclohexane is sourced from PubChem (CID 126699392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).