ethyl 2-(1-hydroxy-5-methyl-2-propan-2-ylidenecyclohexyl)acetate

C14H24O3 — CID 14006500

IUPACethyl 2-(1-hydroxy-5-methyl-2-propan-2-ylidenecyclohexyl)acetate
SMILESCCOC(=O)CC1(O)CC(C)CCC1=C(C)C
InChIInChI=1S/C14H24O3/c1-5-17-13(15)9-14(16)8-11(4)6-7-12(14)10(2)3/h11,16H,5-9H2,1-4H3
InChIKeySUPOZUBPYUJIMJ-UHFFFAOYSA-N
MW240.34 g/mol
LogP2.83
Rot. Bonds3

About ethyl 2-(1-hydroxy-5-methyl-2-propan-2-ylidenecyclohexyl)acetate

ethyl 2-(1-hydroxy-5-methyl-2-propan-2-ylidenecyclohexyl)acetate (PubChem CID 14006500) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is ethyl 2-(1-hydroxy-5-methyl-2-propan-2-ylidenecyclohexyl)acetate.

Molecular Properties

Compound Nameethyl 2-(1-hydroxy-5-methyl-2-propan-2-ylidenecyclohexyl)acetate
PubChem CID14006500
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Nameethyl 2-(1-hydroxy-5-methyl-2-propan-2-ylidenecyclohexyl)acetate
SMILESCCOC(=O)CC1(O)CC(C)CCC1=C(C)C
InChIInChI=1S/C14H24O3/c1-5-17-13(15)9-14(16)8-11(4)6-7-12(14)10(2)3/h11,16H,5-9H2,1-4H3
InChIKeySUPOZUBPYUJIMJ-UHFFFAOYSA-N
XLogP2.83
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 2-[(1s,5r)-1-hydroxy-5-isopropenyl-2-methyl-2-cyclohexenyl]acetate
CID 11424933
methyl (6R)-2-hydroxy-6-methyl-3-propan-2-ylidenecyclohexane-1-carboxylate
CID 164669813
2-[(1S,3S)-1-hydroxy-3-[(E)-3-hydroxyoct-1-enyl]cyclohexyl]acetic acid
CID 44315583
2-[(1R,3S)-1-hydroxy-3-[(E)-3-hydroxyoct-1-enyl]cyclohexyl]acetic acid
CID 44366265
Ethyl 2,2-difluoro-2-(1-hydroxy-5-methyl-2-propan-2-ylidenecyclohexyl)acetate
CID 66038828
2,2-Difluoro-2-(1-hydroxy-5-methyl-2-propan-2-ylidenecyclohexyl)acetic acid
CID 66040029
2-Fluoro-2-(1-hydroxy-5-methyl-2-propan-2-ylidenecyclohexyl)acetic acid
CID 79366980
Ethyl 2-fluoro-2-(1-hydroxy-5-methyl-2-propan-2-ylidenecyclohexyl)acetate
CID 79367099
methyl (1R,2R,4R)-5-ethyl-1-hydroxy-6-methylbicyclo[2.2.2]oct-5-ene-2-carboxylate
CID 102000640
Ethyl 2-[1-hydroxy-3-(2-methylhexyl)cyclopent-2-en-1-yl]acetate
CID 21399059
Ethyl 2-[3-(2-ethyl-6-methyloctyl)-1-hydroxycyclohex-2-en-1-yl]acetate
CID 21399065
Ethyl 2-[3-(2,5-dimethylhex-4-enyl)-1-hydroxycyclopent-2-en-1-yl]acetate
CID 21399071

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-hydroxy-5-methyl-2-propan-2-ylidenecyclohexyl)acetate?
The IUPAC name of ethyl 2-(1-hydroxy-5-methyl-2-propan-2-ylidenecyclohexyl)acetate (CID 14006500) is ethyl 2-(1-hydroxy-5-methyl-2-propan-2-ylidenecyclohexyl)acetate.
What is the SMILES notation for ethyl 2-(1-hydroxy-5-methyl-2-propan-2-ylidenecyclohexyl)acetate?
The canonical SMILES for ethyl 2-(1-hydroxy-5-methyl-2-propan-2-ylidenecyclohexyl)acetate is CCOC(=O)CC1(O)CC(C)CCC1=C(C)C.
What is the InChIKey of ethyl 2-(1-hydroxy-5-methyl-2-propan-2-ylidenecyclohexyl)acetate?
The InChIKey is SUPOZUBPYUJIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-5-17-13(15)9-14(16)8-11(4)6-7-12(14)10(2)3/h11,16H,5-9H2,1-4H3.
What are the key properties of ethyl 2-(1-hydroxy-5-methyl-2-propan-2-ylidenecyclohexyl)acetate?
ethyl 2-(1-hydroxy-5-methyl-2-propan-2-ylidenecyclohexyl)acetate has a molecular weight of 240.34 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-hydroxy-5-methyl-2-propan-2-ylidenecyclohexyl)acetate is sourced from PubChem (CID 14006500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).