4-(butoxymethyl)nonane

C14H30O — CID 87066766

IUPAC4-(butoxymethyl)nonane
SMILESCCCCCC(CCC)COCCCC
InChIInChI=1S/C14H30O/c1-4-7-9-11-14(10-6-3)13-15-12-8-5-2/h14H,4-13H2,1-3H3
InChIKeyVGOUBALCUJAQSW-UHFFFAOYSA-N
MW214.39 g/mol
LogP4.80
Rot. Bonds11

About 4-(butoxymethyl)nonane

4-(butoxymethyl)nonane (PubChem CID 87066766) has the molecular formula C14H30O and a molecular weight of 214.39 g/mol. Its IUPAC name is 4-(butoxymethyl)nonane.

Molecular Properties

Compound Name4-(butoxymethyl)nonane
PubChem CID87066766
Molecular FormulaC14H30O
Molecular Weight214.39 g/mol
Exact Mass214.23
IUPAC Name4-(butoxymethyl)nonane
SMILESCCCCCC(CCC)COCCCC
InChIInChI=1S/C14H30O/c1-4-7-9-11-14(10-6-3)13-15-12-8-5-2/h14H,4-13H2,1-3H3
InChIKeyVGOUBALCUJAQSW-UHFFFAOYSA-N
XLogP4.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.39
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

10-(butoxymethyl)henicosane
CID 87840055
6-(heptoxymethyl)tridecane
CID 87840359
7-(nonoxymethyl)pentadecane
CID 86224814
9-(tetradecoxymethyl)nonadecane
CID 142746550
4-(2-propylheptoxymethyl)nonane
CID 56652319
4-(ethoxymethyl)nonane
CID 87066523
2-(2-propylnonoxy)ethanol
CID 168837428
9-(4-methylpentoxymethyl)nonadecane
CID 59523007
15-(2-tetradecyloctadecoxymethyl)hentriacontane
CID 19909391
15-propyl-1-(15-propylhentriacontoxy)hentriacontane
CID 57489427
2-(2-dodecylhexadecoxy)ethanamine
CID 139605053
oxirane;4-(2-propylheptoxymethyl)nonane
CID 157371001

Frequently Asked Questions

What is the IUPAC name of 4-(butoxymethyl)nonane?
The IUPAC name of 4-(butoxymethyl)nonane (CID 87066766) is 4-(butoxymethyl)nonane.
What is the SMILES notation for 4-(butoxymethyl)nonane?
The canonical SMILES for 4-(butoxymethyl)nonane is CCCCCC(CCC)COCCCC.
What is the InChIKey of 4-(butoxymethyl)nonane?
The InChIKey is VGOUBALCUJAQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O/c1-4-7-9-11-14(10-6-3)13-15-12-8-5-2/h14H,4-13H2,1-3H3.
What are the key properties of 4-(butoxymethyl)nonane?
4-(butoxymethyl)nonane has a molecular weight of 214.39 g/mol, XLogP of 4.80, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butoxymethyl)nonane is sourced from PubChem (CID 87066766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).