ethyl 2-[6-(5-ethyl-4-methylhept-2-en-2-yl)-5,8-dimethylcycloocta-1,5,7-trien-1-yl]oxyacetate

C24H38O3 — CID 123474372

IUPACethyl 2-[6-(5-ethyl-4-methylhept-2-en-2-yl)-5,8-dimethylcycloocta-1,5,7-trien-1-yl]oxyacetate
SMILESCCOC(=O)COC1=CCCC(C)=C(C(C)=CC(C)C(CC)CC)C=C1C
InChIInChI=1S/C24H38O3/c1-8-21(9-2)18(5)14-19(6)22-15-20(7)23(13-11-12-17(22)4)27-16-24(25)26-10-3/h13-15,18,21H,8-12,16H2,1-7H3
InChIKeyYPDOIVHHEMFMSU-UHFFFAOYSA-N
MW374.57 g/mol
LogP6.53
Rot. Bonds9

About ethyl 2-[6-(5-ethyl-4-methylhept-2-en-2-yl)-5,8-dimethylcycloocta-1,5,7-trien-1-yl]oxyacetate

ethyl 2-[6-(5-ethyl-4-methylhept-2-en-2-yl)-5,8-dimethylcycloocta-1,5,7-trien-1-yl]oxyacetate (PubChem CID 123474372) has the molecular formula C24H38O3 and a molecular weight of 374.57 g/mol. Its IUPAC name is ethyl 2-[6-(5-ethyl-4-methylhept-2-en-2-yl)-5,8-dimethylcycloocta-1,5,7-trien-1-yl]oxyacetate.

Molecular Properties

Compound Nameethyl 2-[6-(5-ethyl-4-methylhept-2-en-2-yl)-5,8-dimethylcycloocta-1,5,7-trien-1-yl]oxyacetate
PubChem CID123474372
Molecular FormulaC24H38O3
Molecular Weight374.57 g/mol
Exact Mass374.28
IUPAC Nameethyl 2-[6-(5-ethyl-4-methylhept-2-en-2-yl)-5,8-dimethylcycloocta-1,5,7-trien-1-yl]oxyacetate
SMILESCCOC(=O)COC1=CCCC(C)=C(C(C)=CC(C)C(CC)CC)C=C1C
InChIInChI=1S/C24H38O3/c1-8-21(9-2)18(5)14-19(6)22-15-20(7)23(13-11-12-17(22)4)27-16-24(25)26-10-3/h13-15,18,21H,8-12,16H2,1-7H3
InChIKeyYPDOIVHHEMFMSU-UHFFFAOYSA-N
XLogP6.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.57
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-[6-(5-ethyl-4-methylhept-2-en-2-yl)-5,8-dimethylcycloocta-1,5,7-trien-1-yl]oxyacetate with MolForge

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Related Compounds

[(3E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)buta-1,3-dien-2-yl] 2-methoxyacetate
CID 16113969
Propan-2-yl 2-methoxy-3,7,11-trimethyldodeca-2,4-dienoate
CID 53687749
tert-butyl 2-[(3Z)-6-methyl-5-methylideneocta-1,3-dien-2-yl]oxyacetate
CID 88893369
[(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl] 2-[(4R)-4-(4,4-dimethylhexan-3-yl)cyclohexa-1,5-dien-1-yl]oxyacetate
CID 89748137
Tert-butyl 2-(6-methyl-5-methylideneocta-1,3-dien-2-yl)oxyacetate
CID 90999286
4-(2,6,6-Trimethylcyclohex-2-en-1-yl)buta-1,3-dien-2-yl 2-methoxyacetate
CID 91310029
Tert-butyl 2-(6-methyl-5-methylideneocta-1,3-dien-2-yl)oxypropanoate
CID 91525459
propan-2-yl (7S)-2-methoxy-3,7,11-trimethyldodeca-2,4-dienoate
CID 123654534
Tert-butyl 2-[5-(2,2,5,5-tetramethylhexan-3-yl)cyclohepta-1,4,6-trien-1-yl]oxyacetate
CID 123922629
Tert-butyl 2-(7-tert-butyl-9,9-dimethyl-6-methylidenedec-4-en-3-yl)oxyacetate
CID 123985067
propan-2-yl (2Z,4E)-3,7,11-trimethyl-2-propan-2-yloxydodeca-2,4-dienoate
CID 140994007
Ethyl 2-[4-methyl-3,5-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]oxyacetate
CID 141929455

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-(5-ethyl-4-methylhept-2-en-2-yl)-5,8-dimethylcycloocta-1,5,7-trien-1-yl]oxyacetate?
The IUPAC name of ethyl 2-[6-(5-ethyl-4-methylhept-2-en-2-yl)-5,8-dimethylcycloocta-1,5,7-trien-1-yl]oxyacetate (CID 123474372) is ethyl 2-[6-(5-ethyl-4-methylhept-2-en-2-yl)-5,8-dimethylcycloocta-1,5,7-trien-1-yl]oxyacetate.
What is the SMILES notation for ethyl 2-[6-(5-ethyl-4-methylhept-2-en-2-yl)-5,8-dimethylcycloocta-1,5,7-trien-1-yl]oxyacetate?
The canonical SMILES for ethyl 2-[6-(5-ethyl-4-methylhept-2-en-2-yl)-5,8-dimethylcycloocta-1,5,7-trien-1-yl]oxyacetate is CCOC(=O)COC1=CCCC(C)=C(C(C)=CC(C)C(CC)CC)C=C1C.
What is the InChIKey of ethyl 2-[6-(5-ethyl-4-methylhept-2-en-2-yl)-5,8-dimethylcycloocta-1,5,7-trien-1-yl]oxyacetate?
The InChIKey is YPDOIVHHEMFMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38O3/c1-8-21(9-2)18(5)14-19(6)22-15-20(7)23(13-11-12-17(22)4)27-16-24(25)26-10-3/h13-15,18,21H,8-12,16H2,1-7H3.
What are the key properties of ethyl 2-[6-(5-ethyl-4-methylhept-2-en-2-yl)-5,8-dimethylcycloocta-1,5,7-trien-1-yl]oxyacetate?
ethyl 2-[6-(5-ethyl-4-methylhept-2-en-2-yl)-5,8-dimethylcycloocta-1,5,7-trien-1-yl]oxyacetate has a molecular weight of 374.57 g/mol, XLogP of 6.53, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[6-(5-ethyl-4-methylhept-2-en-2-yl)-5,8-dimethylcycloocta-1,5,7-trien-1-yl]oxyacetate is sourced from PubChem (CID 123474372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).