6-[(2S)-2-methylbutoxy]hexylcyclopropane

C14H28O — CID 167130776

IUPAC6-[(2S)-2-methylbutoxy]hexylcyclopropane
SMILESCC[C@H](C)COCCCCCCC1CC1
InChIInChI=1S/C14H28O/c1-3-13(2)12-15-11-7-5-4-6-8-14-9-10-14/h13-14H,3-12H2,1-2H3/t13-/m0/s1
InChIKeyVJODSBPXELXFSA-ZDUSSCGKSA-N
MW212.38 g/mol
LogP4.41
Rot. Bonds10

About 6-[(2S)-2-methylbutoxy]hexylcyclopropane

6-[(2S)-2-methylbutoxy]hexylcyclopropane (PubChem CID 167130776) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is 6-[(2S)-2-methylbutoxy]hexylcyclopropane.

Molecular Properties

Compound Name6-[(2S)-2-methylbutoxy]hexylcyclopropane
PubChem CID167130776
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name6-[(2S)-2-methylbutoxy]hexylcyclopropane
SMILESCC[C@H](C)COCCCCCCC1CC1
InChIInChI=1S/C14H28O/c1-3-13(2)12-15-11-7-5-4-6-8-14-9-10-14/h13-14H,3-12H2,1-2H3/t13-/m0/s1
InChIKeyVJODSBPXELXFSA-ZDUSSCGKSA-N
XLogP4.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.41
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

7-methylnonylcyclopropane
CID 123906260
ethoxyethane;1-(2-methylbutoxy)tetracosane
CID 166757399
3-(2-cyclopropylethoxy)-2-methylpropan-1-amine
CID 106203362
2-[3-(2-methylbutoxy)propoxymethyl]oxirane
CID 167130751
[(2R)-2-methylbutyl] 4-(4-heptylcyclohexyl)cyclohexane-1-carboxylate
CID 54056254
2-methyl-1-(2-methylbutoxy)butane
CID 4584641
4-(2-methylbutoxy)butyl methanesulfonate
CID 91199402
3-methylpentylcyclopropane
CID 56979389
1-[2-(2-methylbutoxy)ethyl]piperidin-4-amine
CID 166169205
1-(2-cyclopropylethoxy)propan-2-amine
CID 106200486
1-butyl-4-[2-[3-[2-(4-butylcyclohexyl)ethoxy]butan-2-yloxy]ethyl]cyclohexane
CID 18606921
1,4-dihexylcyclohexane
CID 22947938

Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-2-methylbutoxy]hexylcyclopropane?
The IUPAC name of 6-[(2S)-2-methylbutoxy]hexylcyclopropane (CID 167130776) is 6-[(2S)-2-methylbutoxy]hexylcyclopropane.
What is the SMILES notation for 6-[(2S)-2-methylbutoxy]hexylcyclopropane?
The canonical SMILES for 6-[(2S)-2-methylbutoxy]hexylcyclopropane is CC[C@H](C)COCCCCCCC1CC1.
What is the InChIKey of 6-[(2S)-2-methylbutoxy]hexylcyclopropane?
The InChIKey is VJODSBPXELXFSA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H28O/c1-3-13(2)12-15-11-7-5-4-6-8-14-9-10-14/h13-14H,3-12H2,1-2H3/t13-/m0/s1.
What are the key properties of 6-[(2S)-2-methylbutoxy]hexylcyclopropane?
6-[(2S)-2-methylbutoxy]hexylcyclopropane has a molecular weight of 212.38 g/mol, XLogP of 4.41, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-2-methylbutoxy]hexylcyclopropane is sourced from PubChem (CID 167130776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).