cis-(2R,3R)-2-[(1E,8E)-deca-1,8-dienyl]-3-[(4-methoxyphenyl)methoxymethyl]cyclopentan-1-one

C24H34O3 — CID 11773109

IUPACcis-(2R,3R)-2-[(1E,8E)-deca-1,8-dienyl]-3-[(4-methoxyphenyl)methoxymethyl]cyclopentan-1-one
SMILESC/C=C/CCCCC/C=C/[C@H]1C(=O)CC[C@H]1COCc1ccc(OC)cc1
InChIInChI=1S/C24H34O3/c1-3-4-5-6-7-8-9-10-11-23-21(14-17-24(23)25)19-27-18-20-12-15-22(26-2)16-13-20/h3-4,10-13,15-16,21,23H,5-9,14,17-19H2,1-2H3/b4-3+,11-10+/t21-,23+/m0/s1
InChIKeyWRTZMVJCISDAPJ-VJBQHCMDSA-N
MW370.53 g/mol
LogP5.89
Rot. Bonds12

About cis-(2R,3R)-2-[(1E,8E)-deca-1,8-dienyl]-3-[(4-methoxyphenyl)methoxymethyl]cyclopentan-1-one

cis-(2R,3R)-2-[(1E,8E)-deca-1,8-dienyl]-3-[(4-methoxyphenyl)methoxymethyl]cyclopentan-1-one (PubChem CID 11773109) has the molecular formula C24H34O3 and a molecular weight of 370.53 g/mol. Its IUPAC name is cis-(2R,3R)-2-[(1E,8E)-deca-1,8-dienyl]-3-[(4-methoxyphenyl)methoxymethyl]cyclopentan-1-one.

Molecular Properties

Compound Namecis-(2R,3R)-2-[(1E,8E)-deca-1,8-dienyl]-3-[(4-methoxyphenyl)methoxymethyl]cyclopentan-1-one
PubChem CID11773109
Molecular FormulaC24H34O3
Molecular Weight370.53 g/mol
Exact Mass370.25
IUPAC Namecis-(2R,3R)-2-[(1E,8E)-deca-1,8-dienyl]-3-[(4-methoxyphenyl)methoxymethyl]cyclopentan-1-one
SMILESC/C=C/CCCCC/C=C/[C@H]1C(=O)CC[C@H]1COCc1ccc(OC)cc1
InChIInChI=1S/C24H34O3/c1-3-4-5-6-7-8-9-10-11-23-21(14-17-24(23)25)19-27-18-20-12-15-22(26-2)16-13-20/h3-4,10-13,15-16,21,23H,5-9,14,17-19H2,1-2H3/b4-3+,11-10+/t21-,23+/m0/s1
InChIKeyWRTZMVJCISDAPJ-VJBQHCMDSA-N
XLogP5.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.53
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cis-(2R,3R)-2-[(1E,8E)-deca-1,8-dienyl]-3-[(4-methoxyphenyl)methoxymethyl]cyclopentan-1-one?
The IUPAC name of cis-(2R,3R)-2-[(1E,8E)-deca-1,8-dienyl]-3-[(4-methoxyphenyl)methoxymethyl]cyclopentan-1-one (CID 11773109) is cis-(2R,3R)-2-[(1E,8E)-deca-1,8-dienyl]-3-[(4-methoxyphenyl)methoxymethyl]cyclopentan-1-one.
What is the SMILES notation for cis-(2R,3R)-2-[(1E,8E)-deca-1,8-dienyl]-3-[(4-methoxyphenyl)methoxymethyl]cyclopentan-1-one?
The canonical SMILES for cis-(2R,3R)-2-[(1E,8E)-deca-1,8-dienyl]-3-[(4-methoxyphenyl)methoxymethyl]cyclopentan-1-one is C/C=C/CCCCC/C=C/[C@H]1C(=O)CC[C@H]1COCc1ccc(OC)cc1.
What is the InChIKey of cis-(2R,3R)-2-[(1E,8E)-deca-1,8-dienyl]-3-[(4-methoxyphenyl)methoxymethyl]cyclopentan-1-one?
The InChIKey is WRTZMVJCISDAPJ-VJBQHCMDSA-N. The full InChI is InChI=1S/C24H34O3/c1-3-4-5-6-7-8-9-10-11-23-21(14-17-24(23)25)19-27-18-20-12-15-22(26-2)16-13-20/h3-4,10-13,15-16,21,23H,5-9,14,17-19H2,1-2H3/b4-3+,11-10+/t21-,23+/m0/s1.
What are the key properties of cis-(2R,3R)-2-[(1E,8E)-deca-1,8-dienyl]-3-[(4-methoxyphenyl)methoxymethyl]cyclopentan-1-one?
cis-(2R,3R)-2-[(1E,8E)-deca-1,8-dienyl]-3-[(4-methoxyphenyl)methoxymethyl]cyclopentan-1-one has a molecular weight of 370.53 g/mol, XLogP of 5.89, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2R,3R)-2-[(1E,8E)-deca-1,8-dienyl]-3-[(4-methoxyphenyl)methoxymethyl]cyclopentan-1-one is sourced from PubChem (CID 11773109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).