2-(4-methylidenecyclohexyl)propan-2-yl pentanoate

C15H26O2 — CID 535144

IUPAC2-(4-methylidenecyclohexyl)propan-2-yl pentanoate
SMILESC=C1CCC(C(C)(C)OC(=O)CCCC)CC1
InChIInChI=1S/C15H26O2/c1-5-6-7-14(16)17-15(3,4)13-10-8-12(2)9-11-13/h13H,2,5-11H2,1,3-4H3
InChIKeyAVGLPETXTUBHAV-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.24
Rot. Bonds5

About 2-(4-methylidenecyclohexyl)propan-2-yl pentanoate

2-(4-methylidenecyclohexyl)propan-2-yl pentanoate (PubChem CID 535144) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-(4-methylidenecyclohexyl)propan-2-yl pentanoate.

Molecular Properties

Compound Name2-(4-methylidenecyclohexyl)propan-2-yl pentanoate
PubChem CID535144
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name2-(4-methylidenecyclohexyl)propan-2-yl pentanoate
SMILESC=C1CCC(C(C)(C)OC(=O)CCCC)CC1
InChIInChI=1S/C15H26O2/c1-5-6-7-14(16)17-15(3,4)13-10-8-12(2)9-11-13/h13H,2,5-11H2,1,3-4H3
InChIKeyAVGLPETXTUBHAV-UHFFFAOYSA-N
XLogP4.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-piperidin-4-ylpropan-2-yl heptanoate
CID 155075502
2-(azetidin-1-ium-3-yl)propan-2-yl octadecanoate
CID 167316266
2-piperidin-1-ium-4-ylpropan-2-yl butanoate
CID 167316100
2-piperidin-4-ylpropan-2-yl octacosa-10,12-diynoate
CID 155605349
1-O-tert-butyl 12-O-(2-piperidin-4-ylpropan-2-yl) dodecanedioate
CID 155075819
2-piperidin-4-ylpropan-2-yl 6-bromohexanoate
CID 155605241
2-piperidin-1-ium-4-ylpropan-2-yl 8-bromooctanoate
CID 167315242
2-piperidin-1-ium-4-ylpropan-2-yl 5-chloropentanoate
CID 167315279
tert-butyl pentanoate;hydrazine
CID 174371267
4-methylheptan-4-yl pentanoate
CID 170214074
2-[4-[2-(2-sulfanylacetyl)oxypropan-2-yl]cyclohexyl]propan-2-yl 2-sulfanylacetate
CID 58944345
2-cyclohexylpropan-2-yl 4-but-2-en-2-yloxybutanoate
CID 123394574

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylidenecyclohexyl)propan-2-yl pentanoate?
The IUPAC name of 2-(4-methylidenecyclohexyl)propan-2-yl pentanoate (CID 535144) is 2-(4-methylidenecyclohexyl)propan-2-yl pentanoate.
What is the SMILES notation for 2-(4-methylidenecyclohexyl)propan-2-yl pentanoate?
The canonical SMILES for 2-(4-methylidenecyclohexyl)propan-2-yl pentanoate is C=C1CCC(C(C)(C)OC(=O)CCCC)CC1.
What is the InChIKey of 2-(4-methylidenecyclohexyl)propan-2-yl pentanoate?
The InChIKey is AVGLPETXTUBHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-5-6-7-14(16)17-15(3,4)13-10-8-12(2)9-11-13/h13H,2,5-11H2,1,3-4H3.
What are the key properties of 2-(4-methylidenecyclohexyl)propan-2-yl pentanoate?
2-(4-methylidenecyclohexyl)propan-2-yl pentanoate has a molecular weight of 238.37 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylidenecyclohexyl)propan-2-yl pentanoate is sourced from PubChem (CID 535144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).