(3-cyclopentyl-2-methylhex-4-yn-3-yl) 2-methylprop-2-enoate

C16H24O2 — CID 164803622

IUPAC(3-cyclopentyl-2-methylhex-4-yn-3-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C#CC)(C(C)C)C1CCCC1
InChIInChI=1S/C16H24O2/c1-6-11-16(13(4)5,14-9-7-8-10-14)18-15(17)12(2)3/h13-14H,2,7-10H2,1,3-5H3
InChIKeyYIVKRBPZYMDVJK-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.71
Rot. Bonds4

About (3-cyclopentyl-2-methylhex-4-yn-3-yl) 2-methylprop-2-enoate

(3-cyclopentyl-2-methylhex-4-yn-3-yl) 2-methylprop-2-enoate (PubChem CID 164803622) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is (3-cyclopentyl-2-methylhex-4-yn-3-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(3-cyclopentyl-2-methylhex-4-yn-3-yl) 2-methylprop-2-enoate
PubChem CID164803622
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name(3-cyclopentyl-2-methylhex-4-yn-3-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C#CC)(C(C)C)C1CCCC1
InChIInChI=1S/C16H24O2/c1-6-11-16(13(4)5,14-9-7-8-10-14)18-15(17)12(2)3/h13-14H,2,7-10H2,1,3-5H3
InChIKeyYIVKRBPZYMDVJK-UHFFFAOYSA-N
XLogP3.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-cyclopentylpropan-2-yl 2-methylprop-2-enoate
CID 59130085
2-cycloheptylpropan-2-yl 2-methylprop-2-enoate
CID 139975270
1,1-dicyclohexylethyl 2-methylprop-2-enoate
CID 22090694
2-methylpent-3-yn-2-yl 2-methylprop-2-enoate
CID 164803611
2-(3,3-difluorocyclopentyl)propan-2-yl 2-methylprop-2-enoate
CID 155355016
(2,2-dicyclopentyl-2-hydroxyethyl) 2-methylprop-2-enoate
CID 57100902
4,4-dicyclopentyl-2-methyl-5-methylidenehex-2-enedioic acid;methyl 2-methylprop-2-enoate
CID 66956356
[chloro-methoxy-(oxolan-2-yloxy)methyl] 2-methylprop-2-enoate
CID 151095548
1-cyclopentyloxyethyl 2-methylprop-2-enoate
CID 68973043
[2-(2-methylprop-2-enoyloxymethyl)cyclohexyl]methyl 2-methylprop-2-enoate
CID 18956888
3-cyclohexylpentan-3-yl 2-(2-methylprop-2-enoyloxy)butanoate
CID 67522933
(2-cyclohexyl-2-ethylbutyl) 2-methylprop-2-enoate
CID 144855879

Frequently Asked Questions

What is the IUPAC name of (3-cyclopentyl-2-methylhex-4-yn-3-yl) 2-methylprop-2-enoate?
The IUPAC name of (3-cyclopentyl-2-methylhex-4-yn-3-yl) 2-methylprop-2-enoate (CID 164803622) is (3-cyclopentyl-2-methylhex-4-yn-3-yl) 2-methylprop-2-enoate.
What is the SMILES notation for (3-cyclopentyl-2-methylhex-4-yn-3-yl) 2-methylprop-2-enoate?
The canonical SMILES for (3-cyclopentyl-2-methylhex-4-yn-3-yl) 2-methylprop-2-enoate is C=C(C)C(=O)OC(C#CC)(C(C)C)C1CCCC1.
What is the InChIKey of (3-cyclopentyl-2-methylhex-4-yn-3-yl) 2-methylprop-2-enoate?
The InChIKey is YIVKRBPZYMDVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-6-11-16(13(4)5,14-9-7-8-10-14)18-15(17)12(2)3/h13-14H,2,7-10H2,1,3-5H3.
What are the key properties of (3-cyclopentyl-2-methylhex-4-yn-3-yl) 2-methylprop-2-enoate?
(3-cyclopentyl-2-methylhex-4-yn-3-yl) 2-methylprop-2-enoate has a molecular weight of 248.37 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopentyl-2-methylhex-4-yn-3-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 164803622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).