1-(4-methoxybutoxy)-4-(4-methoxybutoxymethyl)cyclohexane

C17H34O4 — CID 126699389

IUPAC1-(4-methoxybutoxy)-4-(4-methoxybutoxymethyl)cyclohexane
SMILESCOCCCCOCC1CCC(OCCCCOC)CC1
InChIInChI=1S/C17H34O4/c1-18-11-3-5-13-20-15-16-7-9-17(10-8-16)21-14-6-4-12-19-2/h16-17H,3-15H2,1-2H3
InChIKeyQTYOKSRTFNXHFH-UHFFFAOYSA-N
MW302.45 g/mol
LogP3.43
Rot. Bonds13

About 1-(4-methoxybutoxy)-4-(4-methoxybutoxymethyl)cyclohexane

1-(4-methoxybutoxy)-4-(4-methoxybutoxymethyl)cyclohexane (PubChem CID 126699389) has the molecular formula C17H34O4 and a molecular weight of 302.45 g/mol. Its IUPAC name is 1-(4-methoxybutoxy)-4-(4-methoxybutoxymethyl)cyclohexane.

Molecular Properties

Compound Name1-(4-methoxybutoxy)-4-(4-methoxybutoxymethyl)cyclohexane
PubChem CID126699389
Molecular FormulaC17H34O4
Molecular Weight302.45 g/mol
Exact Mass302.25
IUPAC Name1-(4-methoxybutoxy)-4-(4-methoxybutoxymethyl)cyclohexane
SMILESCOCCCCOCC1CCC(OCCCCOC)CC1
InChIInChI=1S/C17H34O4/c1-18-11-3-5-13-20-15-16-7-9-17(10-8-16)21-14-6-4-12-19-2/h16-17H,3-15H2,1-2H3
InChIKeyQTYOKSRTFNXHFH-UHFFFAOYSA-N
XLogP3.43
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methoxypropoxycyclooctane
CID 68608033
dodecoxymethylcyclopropane;methane;tetradecoxymethylcyclopropane;tridecoxymethylcyclopropane
CID 161458556
N-ethyl-4-(4-methoxybutoxy)cyclohexan-1-amine
CID 104647209
4-(4-methoxybutoxy)cyclohexane-1-carboxylic acid
CID 114451014
4-(10-methoxydecoxy)thiane 1,1-dioxide
CID 164916307
1-methoxy-6-(6-methoxyhexoxy)hexane
CID 154493017
1-ethyl-4-hexoxycyclohexane
CID 142019346
1-(4-methoxybutoxymethoxymethyl)-4-(propan-2-yloxymethyl)cyclohexane
CID 58030571
3-(4-methoxybutoxymethyl)pyrrolidine
CID 104648277
heptoxycyclopropane
CID 54099544
1-(cycloheptyloxymethyl)-4-dodecoxycycloheptane
CID 91616970
2-methoxyethoxymethylcyclooctane
CID 3020404

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxybutoxy)-4-(4-methoxybutoxymethyl)cyclohexane?
The IUPAC name of 1-(4-methoxybutoxy)-4-(4-methoxybutoxymethyl)cyclohexane (CID 126699389) is 1-(4-methoxybutoxy)-4-(4-methoxybutoxymethyl)cyclohexane.
What is the SMILES notation for 1-(4-methoxybutoxy)-4-(4-methoxybutoxymethyl)cyclohexane?
The canonical SMILES for 1-(4-methoxybutoxy)-4-(4-methoxybutoxymethyl)cyclohexane is COCCCCOCC1CCC(OCCCCOC)CC1.
What is the InChIKey of 1-(4-methoxybutoxy)-4-(4-methoxybutoxymethyl)cyclohexane?
The InChIKey is QTYOKSRTFNXHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O4/c1-18-11-3-5-13-20-15-16-7-9-17(10-8-16)21-14-6-4-12-19-2/h16-17H,3-15H2,1-2H3.
What are the key properties of 1-(4-methoxybutoxy)-4-(4-methoxybutoxymethyl)cyclohexane?
1-(4-methoxybutoxy)-4-(4-methoxybutoxymethyl)cyclohexane has a molecular weight of 302.45 g/mol, XLogP of 3.43, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxybutoxy)-4-(4-methoxybutoxymethyl)cyclohexane is sourced from PubChem (CID 126699389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).