4-(4-methoxycyclohexyl)butyl 2-methylprop-2-enoate

C15H26O3 — CID 139896779

IUPAC4-(4-methoxycyclohexyl)butyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCC1CCC(OC)CC1
InChIInChI=1S/C15H26O3/c1-12(2)15(16)18-11-5-4-6-13-7-9-14(17-3)10-8-13/h13-14H,1,4-11H2,2-3H3
InChIKeyOXZGLKIVLRTCQE-UHFFFAOYSA-N
MW254.37 g/mol
LogP3.48
Rot. Bonds7

About 4-(4-methoxycyclohexyl)butyl 2-methylprop-2-enoate

4-(4-methoxycyclohexyl)butyl 2-methylprop-2-enoate (PubChem CID 139896779) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is 4-(4-methoxycyclohexyl)butyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name4-(4-methoxycyclohexyl)butyl 2-methylprop-2-enoate
PubChem CID139896779
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name4-(4-methoxycyclohexyl)butyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCC1CCC(OC)CC1
InChIInChI=1S/C15H26O3/c1-12(2)15(16)18-11-5-4-6-13-7-9-14(17-3)10-8-13/h13-14H,1,4-11H2,2-3H3
InChIKeyOXZGLKIVLRTCQE-UHFFFAOYSA-N
XLogP3.48
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

5-cycloheptylpentyl 2-methylprop-2-enoate
CID 164546531
3-(4-propylcyclohexyl)propyl 2-methylprop-2-enoate
CID 59289014
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
7-methoxyheptyl 2-methylprop-2-enoate
CID 58788817
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
(4-nonylcyclohexyl) 2-methylprop-2-enoate
CID 141237341
2-[4-(acetyloxymethyl)cyclohexyl]ethyl 2-methylprop-2-enoate
CID 139896785
6-[4-[4-(3,4-difluorophenyl)cyclohexyl]cyclohexyl]hexyl 2-methylprop-2-enoate
CID 59360200
6-[(2S)-2-acetylcyclopropyl]hexyl 2-methylprop-2-enoate
CID 89376003
(4-butylcyclohexyl) 2-methylprop-2-enoate
CID 19083728

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxycyclohexyl)butyl 2-methylprop-2-enoate?
The IUPAC name of 4-(4-methoxycyclohexyl)butyl 2-methylprop-2-enoate (CID 139896779) is 4-(4-methoxycyclohexyl)butyl 2-methylprop-2-enoate.
What is the SMILES notation for 4-(4-methoxycyclohexyl)butyl 2-methylprop-2-enoate?
The canonical SMILES for 4-(4-methoxycyclohexyl)butyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCC1CCC(OC)CC1.
What is the InChIKey of 4-(4-methoxycyclohexyl)butyl 2-methylprop-2-enoate?
The InChIKey is OXZGLKIVLRTCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3/c1-12(2)15(16)18-11-5-4-6-13-7-9-14(17-3)10-8-13/h13-14H,1,4-11H2,2-3H3.
What are the key properties of 4-(4-methoxycyclohexyl)butyl 2-methylprop-2-enoate?
4-(4-methoxycyclohexyl)butyl 2-methylprop-2-enoate has a molecular weight of 254.37 g/mol, XLogP of 3.48, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxycyclohexyl)butyl 2-methylprop-2-enoate is sourced from PubChem (CID 139896779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).