5-cycloheptylpentyl 2-methylprop-2-enoate

C16H28O2 — CID 164546531

IUPAC5-cycloheptylpentyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCC1CCCCCC1
InChIInChI=1S/C16H28O2/c1-14(2)16(17)18-13-9-5-8-12-15-10-6-3-4-7-11-15/h15H,1,3-13H2,2H3
InChIKeyPIILTQIWYINFQX-UHFFFAOYSA-N
MW252.40 g/mol
LogP4.64
Rot. Bonds7

About 5-cycloheptylpentyl 2-methylprop-2-enoate

5-cycloheptylpentyl 2-methylprop-2-enoate (PubChem CID 164546531) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is 5-cycloheptylpentyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name5-cycloheptylpentyl 2-methylprop-2-enoate
PubChem CID164546531
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name5-cycloheptylpentyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCC1CCCCCC1
InChIInChI=1S/C16H28O2/c1-14(2)16(17)18-13-9-5-8-12-15-10-6-3-4-7-11-15/h15H,1,3-13H2,2H3
InChIKeyPIILTQIWYINFQX-UHFFFAOYSA-N
XLogP4.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-methoxycyclohexyl)butyl 2-methylprop-2-enoate
CID 139896779
3-cyclohexyloxypropyl 2-methylprop-2-enoate
CID 139688731
3-(4-propylcyclohexyl)propyl 2-methylprop-2-enoate
CID 59289014
(5-cyclohexyl-4-oxopentyl) 2-methylprop-2-enoate
CID 58107900
6-(7-oxabicyclo[4.1.0]heptan-3-yl)hexyl 2-methylprop-2-enoate
CID 87233020
ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
2-cyclohexyloxyethyl 2-methylprop-2-enoate
CID 14692693
4-[4-[4-(2-methylprop-2-enoyloxy)butoxy]butoxy]butyl 2-methylprop-2-enoate
CID 101360150
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
1-O-cyclohexyl 5-O-[4-(2-methylprop-2-enoyloxy)butyl] 2,2,3,3,4,4-hexafluoropentanedioate
CID 88577906
3-(2-hydroxycyclohexyl)propyl 2-methylprop-2-enoate
CID 142509659
6-[(2S)-2-acetylcyclopropyl]hexyl 2-methylprop-2-enoate
CID 89376003

Frequently Asked Questions

What is the IUPAC name of 5-cycloheptylpentyl 2-methylprop-2-enoate?
The IUPAC name of 5-cycloheptylpentyl 2-methylprop-2-enoate (CID 164546531) is 5-cycloheptylpentyl 2-methylprop-2-enoate.
What is the SMILES notation for 5-cycloheptylpentyl 2-methylprop-2-enoate?
The canonical SMILES for 5-cycloheptylpentyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCCC1CCCCCC1.
What is the InChIKey of 5-cycloheptylpentyl 2-methylprop-2-enoate?
The InChIKey is PIILTQIWYINFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2/c1-14(2)16(17)18-13-9-5-8-12-15-10-6-3-4-7-11-15/h15H,1,3-13H2,2H3.
What are the key properties of 5-cycloheptylpentyl 2-methylprop-2-enoate?
5-cycloheptylpentyl 2-methylprop-2-enoate has a molecular weight of 252.40 g/mol, XLogP of 4.64, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cycloheptylpentyl 2-methylprop-2-enoate is sourced from PubChem (CID 164546531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).