[1-methoxy-3-(methoxymethyl)nonan-2-yl]cyclopentane

C17H34O2 — CID 142709832

IUPAC[1-methoxy-3-(methoxymethyl)nonan-2-yl]cyclopentane
SMILESCCCCCCC(COC)C(COC)C1CCCC1
InChIInChI=1S/C17H34O2/c1-4-5-6-7-12-16(13-18-2)17(14-19-3)15-10-8-9-11-15/h15-17H,4-14H2,1-3H3
InChIKeyNCUOFQDXNKFPGM-UHFFFAOYSA-N
MW270.46 g/mol
LogP4.67
Rot. Bonds11

About [1-methoxy-3-(methoxymethyl)nonan-2-yl]cyclopentane

[1-methoxy-3-(methoxymethyl)nonan-2-yl]cyclopentane (PubChem CID 142709832) has the molecular formula C17H34O2 and a molecular weight of 270.46 g/mol. Its IUPAC name is [1-methoxy-3-(methoxymethyl)nonan-2-yl]cyclopentane.

Molecular Properties

Compound Name[1-methoxy-3-(methoxymethyl)nonan-2-yl]cyclopentane
PubChem CID142709832
Molecular FormulaC17H34O2
Molecular Weight270.46 g/mol
Exact Mass270.26
IUPAC Name[1-methoxy-3-(methoxymethyl)nonan-2-yl]cyclopentane
SMILESCCCCCCC(COC)C(COC)C1CCCC1
InChIInChI=1S/C17H34O2/c1-4-5-6-7-12-16(13-18-2)17(14-19-3)15-10-8-9-11-15/h15-17H,4-14H2,1-3H3
InChIKeyNCUOFQDXNKFPGM-UHFFFAOYSA-N
XLogP4.67
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 ≤ 54.67
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

5,6-bis(methoxymethyl)undecane
CID 142709817
2-methyloctan-3-ylcycloheptane
CID 123273196
2-cyclopentyl-4-iodo-1-methoxydodecan-3-one
CID 89157960
2-cyclopentyl-N-(2-methoxyethyl)octan-1-amine
CID 112570187
1-cyclohexylheptylcyclohexane
CID 16404
hexadecan-8-ylcyclohexane
CID 91510029
1-cycloheptyldecylcycloheptane
CID 20559033
N-(1-methoxyhexan-2-yl)cyclopentanamine
CID 115704960
nonan-3-ylcyclopentane
CID 19893531
undecan-5-ylcyclohexane
CID 524419
(1,4-dimethoxy-3-methylbutan-2-yl)cyclohexane
CID 142709814
4,5-dimethyldecan-3-ylcyclopentane
CID 167499527

Frequently Asked Questions

What is the IUPAC name of [1-methoxy-3-(methoxymethyl)nonan-2-yl]cyclopentane?
The IUPAC name of [1-methoxy-3-(methoxymethyl)nonan-2-yl]cyclopentane (CID 142709832) is [1-methoxy-3-(methoxymethyl)nonan-2-yl]cyclopentane.
What is the SMILES notation for [1-methoxy-3-(methoxymethyl)nonan-2-yl]cyclopentane?
The canonical SMILES for [1-methoxy-3-(methoxymethyl)nonan-2-yl]cyclopentane is CCCCCCC(COC)C(COC)C1CCCC1.
What is the InChIKey of [1-methoxy-3-(methoxymethyl)nonan-2-yl]cyclopentane?
The InChIKey is NCUOFQDXNKFPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O2/c1-4-5-6-7-12-16(13-18-2)17(14-19-3)15-10-8-9-11-15/h15-17H,4-14H2,1-3H3.
What are the key properties of [1-methoxy-3-(methoxymethyl)nonan-2-yl]cyclopentane?
[1-methoxy-3-(methoxymethyl)nonan-2-yl]cyclopentane has a molecular weight of 270.46 g/mol, XLogP of 4.67, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methoxy-3-(methoxymethyl)nonan-2-yl]cyclopentane is sourced from PubChem (CID 142709832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).