heptane;methoxymethane;methylcyclobutane

C14H32O — CID 168881474

IUPACheptane;methoxymethane;methylcyclobutane
SMILESCC1CCC1.CCCCCCC.COC
InChIInChI=1S/C7H16.C5H10.C2H6O/c1-3-5-7-6-4-2;1-5-3-2-4-5;1-3-2/h3-7H2,1-2H3;5H,2-4H2,1H3;1-2H3
InChIKeyNLKIYYHUYQESSJ-UHFFFAOYSA-N
MW216.41 g/mol
LogP5.05
Rot. Bonds4

About heptane;methoxymethane;methylcyclobutane

heptane;methoxymethane;methylcyclobutane (PubChem CID 168881474) has the molecular formula C14H32O and a molecular weight of 216.41 g/mol. Its IUPAC name is heptane;methoxymethane;methylcyclobutane.

Molecular Properties

Compound Nameheptane;methoxymethane;methylcyclobutane
PubChem CID168881474
Molecular FormulaC14H32O
Molecular Weight216.41 g/mol
Exact Mass216.25
IUPAC Nameheptane;methoxymethane;methylcyclobutane
SMILESCC1CCC1.CCCCCCC.COC
InChIInChI=1S/C7H16.C5H10.C2H6O/c1-3-5-7-6-4-2;1-5-3-2-4-5;1-3-2/h3-7H2,1-2H3;5H,2-4H2,1H3;1-2H3
InChIKeyNLKIYYHUYQESSJ-UHFFFAOYSA-N
XLogP5.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500216.41
LogP ≤ 55.05
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

ethane;tris(methylcyclohexane);octane
CID 142912940
butane;bis(hexane);bis(methylcyclopentane)
CID 162195101
methoxymethane;undecane
CID 174775722
heptane;methoxycyclopentane
CID 131735357
1-methyl-3-octadecylcyclohexane
CID 175465709
1-methyl-3-octylcyclohexane
CID 54298070
cis-(1R,2S)-1,2-dimethylcyclohexane;heptane
CID 142453951
1-methyl-4-pentylcycloheptane
CID 123318058
ethane;methylcyclobutane;N-methylpentan-1-amine
CID 166078037
cyclopropane;icosane
CID 162221728
cyclopropane;octadecane
CID 174865519
decane;ruthenium
CID 160818595

Frequently Asked Questions

What is the IUPAC name of heptane;methoxymethane;methylcyclobutane?
The IUPAC name of heptane;methoxymethane;methylcyclobutane (CID 168881474) is heptane;methoxymethane;methylcyclobutane.
What is the SMILES notation for heptane;methoxymethane;methylcyclobutane?
The canonical SMILES for heptane;methoxymethane;methylcyclobutane is CC1CCC1.CCCCCCC.COC.
What is the InChIKey of heptane;methoxymethane;methylcyclobutane?
The InChIKey is NLKIYYHUYQESSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16.C5H10.C2H6O/c1-3-5-7-6-4-2;1-5-3-2-4-5;1-3-2/h3-7H2,1-2H3;5H,2-4H2,1H3;1-2H3.
What are the key properties of heptane;methoxymethane;methylcyclobutane?
heptane;methoxymethane;methylcyclobutane has a molecular weight of 216.41 g/mol, XLogP of 5.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for heptane;methoxymethane;methylcyclobutane is sourced from PubChem (CID 168881474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).