1-(2-methylpropoxy)-2-(pentoxymethyl)cyclohexane

C16H32O2 — CID 151781256

IUPAC1-(2-methylpropoxy)-2-(pentoxymethyl)cyclohexane
SMILESCCCCCOCC1CCCCC1OCC(C)C
InChIInChI=1S/C16H32O2/c1-4-5-8-11-17-13-15-9-6-7-10-16(15)18-12-14(2)3/h14-16H,4-13H2,1-3H3
InChIKeyRUQRCUCMSLQZLM-UHFFFAOYSA-N
MW256.43 g/mol
LogP4.42
Rot. Bonds9

About 1-(2-methylpropoxy)-2-(pentoxymethyl)cyclohexane

1-(2-methylpropoxy)-2-(pentoxymethyl)cyclohexane (PubChem CID 151781256) has the molecular formula C16H32O2 and a molecular weight of 256.43 g/mol. Its IUPAC name is 1-(2-methylpropoxy)-2-(pentoxymethyl)cyclohexane.

Molecular Properties

Compound Name1-(2-methylpropoxy)-2-(pentoxymethyl)cyclohexane
PubChem CID151781256
Molecular FormulaC16H32O2
Molecular Weight256.43 g/mol
Exact Mass256.24
IUPAC Name1-(2-methylpropoxy)-2-(pentoxymethyl)cyclohexane
SMILESCCCCCOCC1CCCCC1OCC(C)C
InChIInChI=1S/C16H32O2/c1-4-5-8-11-17-13-15-9-6-7-10-16(15)18-12-14(2)3/h14-16H,4-13H2,1-3H3
InChIKeyRUQRCUCMSLQZLM-UHFFFAOYSA-N
XLogP4.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 54.42
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

(1R,2R,3R)-1,2-dibutoxy-3-(butoxymethyl)cyclohexane
CID 71267912
1-(2-methylpropoxy)tridecane
CID 91526471
1-(2-methylpropoxy)undecane
CID 58527571
cis-(1R,2S)-2-(octadecoxymethyl)cyclopentan-1-ol
CID 56971486
1,2-bis(2-methylpropoxymethyl)cyclopentane
CID 90987862
2-octoxycyclohexan-1-amine
CID 43127889
2-hexoxycyclododecan-1-amine
CID 43127854
1,2-dibutoxycyclohexane
CID 24962665
2-[2-[2-[2-[2-(2-octylcyclohexyl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 11189685
2-(pentoxymethyl)oxirane
CID 160890113
1-bromo-2-(2-methylpropoxy)cyclohexane
CID 62111426
1-iodo-2-pentoxycyclopentane
CID 114773690

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropoxy)-2-(pentoxymethyl)cyclohexane?
The IUPAC name of 1-(2-methylpropoxy)-2-(pentoxymethyl)cyclohexane (CID 151781256) is 1-(2-methylpropoxy)-2-(pentoxymethyl)cyclohexane.
What is the SMILES notation for 1-(2-methylpropoxy)-2-(pentoxymethyl)cyclohexane?
The canonical SMILES for 1-(2-methylpropoxy)-2-(pentoxymethyl)cyclohexane is CCCCCOCC1CCCCC1OCC(C)C.
What is the InChIKey of 1-(2-methylpropoxy)-2-(pentoxymethyl)cyclohexane?
The InChIKey is RUQRCUCMSLQZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2/c1-4-5-8-11-17-13-15-9-6-7-10-16(15)18-12-14(2)3/h14-16H,4-13H2,1-3H3.
What are the key properties of 1-(2-methylpropoxy)-2-(pentoxymethyl)cyclohexane?
1-(2-methylpropoxy)-2-(pentoxymethyl)cyclohexane has a molecular weight of 256.43 g/mol, XLogP of 4.42, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropoxy)-2-(pentoxymethyl)cyclohexane is sourced from PubChem (CID 151781256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).