cyclohexyl 2-hydroxy-1-methyl-4-propan-2-ylidenecyclohexa-2,5-diene-1-carboxylate

C17H24O3 — CID 170308024

IUPACcyclohexyl 2-hydroxy-1-methyl-4-propan-2-ylidenecyclohexa-2,5-diene-1-carboxylate
SMILESCC(C)=C1C=CC(C)(C(=O)OC2CCCCC2)C(O)=C1
InChIInChI=1S/C17H24O3/c1-12(2)13-9-10-17(3,15(18)11-13)16(19)20-14-7-5-4-6-8-14/h9-11,14,18H,4-8H2,1-3H3
InChIKeyBBTCMTYESZEHCE-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.22
Rot. Bonds2

About cyclohexyl 2-hydroxy-1-methyl-4-propan-2-ylidenecyclohexa-2,5-diene-1-carboxylate

cyclohexyl 2-hydroxy-1-methyl-4-propan-2-ylidenecyclohexa-2,5-diene-1-carboxylate (PubChem CID 170308024) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is cyclohexyl 2-hydroxy-1-methyl-4-propan-2-ylidenecyclohexa-2,5-diene-1-carboxylate.

Molecular Properties

Compound Namecyclohexyl 2-hydroxy-1-methyl-4-propan-2-ylidenecyclohexa-2,5-diene-1-carboxylate
PubChem CID170308024
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Namecyclohexyl 2-hydroxy-1-methyl-4-propan-2-ylidenecyclohexa-2,5-diene-1-carboxylate
SMILESCC(C)=C1C=CC(C)(C(=O)OC2CCCCC2)C(O)=C1
InChIInChI=1S/C17H24O3/c1-12(2)13-9-10-17(3,15(18)11-13)16(19)20-14-7-5-4-6-8-14/h9-11,14,18H,4-8H2,1-3H3
InChIKeyBBTCMTYESZEHCE-UHFFFAOYSA-N
XLogP4.22
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-hydroxy-1-methyl-4-propan-2-ylidenecyclohexa-2,5-diene-1-carboxylate?
The IUPAC name of cyclohexyl 2-hydroxy-1-methyl-4-propan-2-ylidenecyclohexa-2,5-diene-1-carboxylate (CID 170308024) is cyclohexyl 2-hydroxy-1-methyl-4-propan-2-ylidenecyclohexa-2,5-diene-1-carboxylate.
What is the SMILES notation for cyclohexyl 2-hydroxy-1-methyl-4-propan-2-ylidenecyclohexa-2,5-diene-1-carboxylate?
The canonical SMILES for cyclohexyl 2-hydroxy-1-methyl-4-propan-2-ylidenecyclohexa-2,5-diene-1-carboxylate is CC(C)=C1C=CC(C)(C(=O)OC2CCCCC2)C(O)=C1.
What is the InChIKey of cyclohexyl 2-hydroxy-1-methyl-4-propan-2-ylidenecyclohexa-2,5-diene-1-carboxylate?
The InChIKey is BBTCMTYESZEHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3/c1-12(2)13-9-10-17(3,15(18)11-13)16(19)20-14-7-5-4-6-8-14/h9-11,14,18H,4-8H2,1-3H3.
What are the key properties of cyclohexyl 2-hydroxy-1-methyl-4-propan-2-ylidenecyclohexa-2,5-diene-1-carboxylate?
cyclohexyl 2-hydroxy-1-methyl-4-propan-2-ylidenecyclohexa-2,5-diene-1-carboxylate has a molecular weight of 276.38 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-hydroxy-1-methyl-4-propan-2-ylidenecyclohexa-2,5-diene-1-carboxylate is sourced from PubChem (CID 170308024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).