cyclopropylmethyl 2-methylhexanoate

C11H20O2 — CID 67151240

IUPACcyclopropylmethyl 2-methylhexanoate
SMILESCCCCC(C)C(=O)OCC1CC1
InChIInChI=1S/C11H20O2/c1-3-4-5-9(2)11(12)13-8-10-6-7-10/h9-10H,3-8H2,1-2H3
InChIKeyFFWNQLIBSZWYQO-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.77
Rot. Bonds6

About cyclopropylmethyl 2-methylhexanoate

cyclopropylmethyl 2-methylhexanoate (PubChem CID 67151240) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is cyclopropylmethyl 2-methylhexanoate.

Molecular Properties

Compound Namecyclopropylmethyl 2-methylhexanoate
PubChem CID67151240
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Namecyclopropylmethyl 2-methylhexanoate
SMILESCCCCC(C)C(=O)OCC1CC1
InChIInChI=1S/C11H20O2/c1-3-4-5-9(2)11(12)13-8-10-6-7-10/h9-10H,3-8H2,1-2H3
InChIKeyFFWNQLIBSZWYQO-UHFFFAOYSA-N
XLogP2.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopropylmethyl 4-amino-2-methylbutanoate
CID 80540087
ethyl 2-methylhexanoate
CID 12714009
cyclopropylmethyl 2-amino-3-methylpentanoate
CID 61150459
oxan-4-ylmethyl 5-amino-2-methylpentanoate
CID 104686033
propyl 2-methylhexanoate
CID 15464658
oxan-4-ylmethyl 6-amino-2-methylheptanoate
CID 65285134
cyclopropylmethyl (2S)-2-aminopentanoate
CID 107565685
sulfanylmethyl 2-methylhexanoate
CID 90235520
(4-propylcyclohexyl)methyl 2-methylpropanoate
CID 175906302
dodecyl 2-methylhexanoate
CID 20682052
[4-(pentanoyloxymethyl)cyclohexyl]methyl pentanoate
CID 101298142
decyl 2-methylhexanoate
CID 86220664

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl 2-methylhexanoate?
The IUPAC name of cyclopropylmethyl 2-methylhexanoate (CID 67151240) is cyclopropylmethyl 2-methylhexanoate.
What is the SMILES notation for cyclopropylmethyl 2-methylhexanoate?
The canonical SMILES for cyclopropylmethyl 2-methylhexanoate is CCCCC(C)C(=O)OCC1CC1.
What is the InChIKey of cyclopropylmethyl 2-methylhexanoate?
The InChIKey is FFWNQLIBSZWYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-4-5-9(2)11(12)13-8-10-6-7-10/h9-10H,3-8H2,1-2H3.
What are the key properties of cyclopropylmethyl 2-methylhexanoate?
cyclopropylmethyl 2-methylhexanoate has a molecular weight of 184.28 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl 2-methylhexanoate is sourced from PubChem (CID 67151240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).