(1-cyclohexyl-3-methylbut-2-enyl) 2-methylprop-2-enoate

C15H24O2 — CID 170441004

IUPAC(1-cyclohexyl-3-methylbut-2-enyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C=C(C)C)C1CCCCC1
InChIInChI=1S/C15H24O2/c1-11(2)10-14(17-15(16)12(3)4)13-8-6-5-7-9-13/h10,13-14H,3,5-9H2,1-2,4H3
InChIKeyQFZCKSKNDBGNRS-UHFFFAOYSA-N
MW236.35 g/mol
LogP4.02
Rot. Bonds4

About (1-cyclohexyl-3-methylbut-2-enyl) 2-methylprop-2-enoate

(1-cyclohexyl-3-methylbut-2-enyl) 2-methylprop-2-enoate (PubChem CID 170441004) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (1-cyclohexyl-3-methylbut-2-enyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(1-cyclohexyl-3-methylbut-2-enyl) 2-methylprop-2-enoate
PubChem CID170441004
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(1-cyclohexyl-3-methylbut-2-enyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C=C(C)C)C1CCCCC1
InChIInChI=1S/C15H24O2/c1-11(2)10-14(17-15(16)12(3)4)13-8-6-5-7-9-13/h10,13-14H,3,5-9H2,1-2,4H3
InChIKeyQFZCKSKNDBGNRS-UHFFFAOYSA-N
XLogP4.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 54.02
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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Frequently Asked Questions

What is the IUPAC name of (1-cyclohexyl-3-methylbut-2-enyl) 2-methylprop-2-enoate?
The IUPAC name of (1-cyclohexyl-3-methylbut-2-enyl) 2-methylprop-2-enoate (CID 170441004) is (1-cyclohexyl-3-methylbut-2-enyl) 2-methylprop-2-enoate.
What is the SMILES notation for (1-cyclohexyl-3-methylbut-2-enyl) 2-methylprop-2-enoate?
The canonical SMILES for (1-cyclohexyl-3-methylbut-2-enyl) 2-methylprop-2-enoate is C=C(C)C(=O)OC(C=C(C)C)C1CCCCC1.
What is the InChIKey of (1-cyclohexyl-3-methylbut-2-enyl) 2-methylprop-2-enoate?
The InChIKey is QFZCKSKNDBGNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-11(2)10-14(17-15(16)12(3)4)13-8-6-5-7-9-13/h10,13-14H,3,5-9H2,1-2,4H3.
What are the key properties of (1-cyclohexyl-3-methylbut-2-enyl) 2-methylprop-2-enoate?
(1-cyclohexyl-3-methylbut-2-enyl) 2-methylprop-2-enoate has a molecular weight of 236.35 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohexyl-3-methylbut-2-enyl) 2-methylprop-2-enoate is sourced from PubChem (CID 170441004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).