(4-propylcyclohexyl)methyl 2-methylpropanoate

C14H26O2 — CID 175906302

IUPAC(4-propylcyclohexyl)methyl 2-methylpropanoate
SMILESCCCC1CCC(COC(=O)C(C)C)CC1
InChIInChI=1S/C14H26O2/c1-4-5-12-6-8-13(9-7-12)10-16-14(15)11(2)3/h11-13H,4-10H2,1-3H3
InChIKeyCYUULHHEMIXILU-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.79
Rot. Bonds5

About (4-propylcyclohexyl)methyl 2-methylpropanoate

(4-propylcyclohexyl)methyl 2-methylpropanoate (PubChem CID 175906302) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is (4-propylcyclohexyl)methyl 2-methylpropanoate.

Molecular Properties

Compound Name(4-propylcyclohexyl)methyl 2-methylpropanoate
PubChem CID175906302
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name(4-propylcyclohexyl)methyl 2-methylpropanoate
SMILESCCCC1CCC(COC(=O)C(C)C)CC1
InChIInChI=1S/C14H26O2/c1-4-5-12-6-8-13(9-7-12)10-16-14(15)11(2)3/h11-13H,4-10H2,1-3H3
InChIKeyCYUULHHEMIXILU-UHFFFAOYSA-N
XLogP3.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopentylmethyl 2-methylpropanoate
CID 21063892
(4-propylcyclohexyl)methyl 2-methylprop-2-enoate
CID 123563318
(4-methylidenecyclohexyl)methyl 2-methylpropanoate
CID 147453211
cyclopropylmethyl 2-methylhexanoate
CID 67151240
[4-(4-propylcyclohexyl)cyclohexyl]methyl 2,2,2-trifluoroacetate
CID 20615200
cyclopropylmethyl 2-sulfanylpropanoate
CID 107018198
cyclopropylmethyl 2-amino-3-methylpentanoate
CID 61150459
cyclopropylmethyl (2S)-2-aminopentanoate
CID 107565685
ethane;1-ethyl-4-propylcyclohexane;2-methylpropane
CID 166536374
bis(cyclopentylmethyl) 2-methylpropanedioate
CID 174545990
3-methyl-2-[(4-propylcyclohexyl)amino]butanamide
CID 113233122
cyclopropylmethyl 4-amino-2-methylbutanoate
CID 80540087

Frequently Asked Questions

What is the IUPAC name of (4-propylcyclohexyl)methyl 2-methylpropanoate?
The IUPAC name of (4-propylcyclohexyl)methyl 2-methylpropanoate (CID 175906302) is (4-propylcyclohexyl)methyl 2-methylpropanoate.
What is the SMILES notation for (4-propylcyclohexyl)methyl 2-methylpropanoate?
The canonical SMILES for (4-propylcyclohexyl)methyl 2-methylpropanoate is CCCC1CCC(COC(=O)C(C)C)CC1.
What is the InChIKey of (4-propylcyclohexyl)methyl 2-methylpropanoate?
The InChIKey is CYUULHHEMIXILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-4-5-12-6-8-13(9-7-12)10-16-14(15)11(2)3/h11-13H,4-10H2,1-3H3.
What are the key properties of (4-propylcyclohexyl)methyl 2-methylpropanoate?
(4-propylcyclohexyl)methyl 2-methylpropanoate has a molecular weight of 226.36 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propylcyclohexyl)methyl 2-methylpropanoate is sourced from PubChem (CID 175906302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).