[2-(3-methylpent-4-enyl)cyclohexyl] 2-methylprop-2-enoate

C16H26O2 — CID 174477656

IUPAC[2-(3-methylpent-4-enyl)cyclohexyl] 2-methylprop-2-enoate
SMILESC=CC(C)CCC1CCCCC1OC(=O)C(=C)C
InChIInChI=1S/C16H26O2/c1-5-13(4)10-11-14-8-6-7-9-15(14)18-16(17)12(2)3/h5,13-15H,1-2,6-11H2,3-4H3
InChIKeyUOZBIKKYPWGRKO-UHFFFAOYSA-N
MW250.38 g/mol
LogP4.27
Rot. Bonds6

About [2-(3-methylpent-4-enyl)cyclohexyl] 2-methylprop-2-enoate

[2-(3-methylpent-4-enyl)cyclohexyl] 2-methylprop-2-enoate (PubChem CID 174477656) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is [2-(3-methylpent-4-enyl)cyclohexyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-(3-methylpent-4-enyl)cyclohexyl] 2-methylprop-2-enoate
PubChem CID174477656
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name[2-(3-methylpent-4-enyl)cyclohexyl] 2-methylprop-2-enoate
SMILESC=CC(C)CCC1CCCCC1OC(=O)C(=C)C
InChIInChI=1S/C16H26O2/c1-5-13(4)10-11-14-8-6-7-9-15(14)18-16(17)12(2)3/h5,13-15H,1-2,6-11H2,3-4H3
InChIKeyUOZBIKKYPWGRKO-UHFFFAOYSA-N
XLogP4.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-octadecylcyclohexyl) 2-methylprop-2-enoate
CID 141237308
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl 2-methylprop-2-enoate
CID 18400373
(2-fluorocyclopentyl) 2-methylprop-2-enoate
CID 175110305
[2-(trifluoromethyl)cyclohexyl] 2-methylprop-2-enoate
CID 141230505
[2-(2-methylprop-2-enoyloxymethyl)cyclohexyl]methyl 2-methylprop-2-enoate
CID 18956888
[(1R)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-1-yl] 2-methylprop-2-enoate
CID 18448264
cyclohexyl 2-methylprop-2-enoate;2-methylprop-1-ene
CID 174922373
[2-(2-methylprop-2-enoyloxy)cyclohexyl] decanoate
CID 71388892
[(1R,2S)-2-(3-hydroxypropyl)cyclohexyl] acetate
CID 15183497
cyclododecyl 2-methylprop-2-enoate;methane
CID 174824208
cyclohexyl 2-methylprop-2-enoate;methanol
CID 67315224
cyclohexyl 2-methylprop-2-enoate;2-methylprop-2-enamide
CID 174857281

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylpent-4-enyl)cyclohexyl] 2-methylprop-2-enoate?
The IUPAC name of [2-(3-methylpent-4-enyl)cyclohexyl] 2-methylprop-2-enoate (CID 174477656) is [2-(3-methylpent-4-enyl)cyclohexyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-(3-methylpent-4-enyl)cyclohexyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-(3-methylpent-4-enyl)cyclohexyl] 2-methylprop-2-enoate is C=CC(C)CCC1CCCCC1OC(=O)C(=C)C.
What is the InChIKey of [2-(3-methylpent-4-enyl)cyclohexyl] 2-methylprop-2-enoate?
The InChIKey is UOZBIKKYPWGRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-5-13(4)10-11-14-8-6-7-9-15(14)18-16(17)12(2)3/h5,13-15H,1-2,6-11H2,3-4H3.
What are the key properties of [2-(3-methylpent-4-enyl)cyclohexyl] 2-methylprop-2-enoate?
[2-(3-methylpent-4-enyl)cyclohexyl] 2-methylprop-2-enoate has a molecular weight of 250.38 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylpent-4-enyl)cyclohexyl] 2-methylprop-2-enoate is sourced from PubChem (CID 174477656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).