cis-(2S,3R)-2-methyl-3-(5-phenylmethoxypent-1-en-2-yl)cyclopentan-1-one

C18H24O2 — CID 11975032

IUPACcis-(2S,3R)-2-methyl-3-(5-phenylmethoxypent-1-en-2-yl)cyclopentan-1-one
SMILESC=C(CCCOCc1ccccc1)[C@@H]1CCC(=O)[C@H]1C
InChIInChI=1S/C18H24O2/c1-14(17-10-11-18(19)15(17)2)7-6-12-20-13-16-8-4-3-5-9-16/h3-5,8-9,15,17H,1,6-7,10-13H2,2H3/t15-,17-/m0/s1
InChIKeyYNSNKOUXOWVCQW-RDJZCZTQSA-N
MW272.39 g/mol
LogP4.15
Rot. Bonds7

About cis-(2S,3R)-2-methyl-3-(5-phenylmethoxypent-1-en-2-yl)cyclopentan-1-one

cis-(2S,3R)-2-methyl-3-(5-phenylmethoxypent-1-en-2-yl)cyclopentan-1-one (PubChem CID 11975032) has the molecular formula C18H24O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is cis-(2S,3R)-2-methyl-3-(5-phenylmethoxypent-1-en-2-yl)cyclopentan-1-one.

Molecular Properties

Compound Namecis-(2S,3R)-2-methyl-3-(5-phenylmethoxypent-1-en-2-yl)cyclopentan-1-one
PubChem CID11975032
Molecular FormulaC18H24O2
Molecular Weight272.39 g/mol
Exact Mass272.18
IUPAC Namecis-(2S,3R)-2-methyl-3-(5-phenylmethoxypent-1-en-2-yl)cyclopentan-1-one
SMILESC=C(CCCOCc1ccccc1)[C@@H]1CCC(=O)[C@H]1C
InChIInChI=1S/C18H24O2/c1-14(17-10-11-18(19)15(17)2)7-6-12-20-13-16-8-4-3-5-9-16/h3-5,8-9,15,17H,1,6-7,10-13H2,2H3/t15-,17-/m0/s1
InChIKeyYNSNKOUXOWVCQW-RDJZCZTQSA-N
XLogP4.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(2S,3R)-2-methyl-3-(5-phenylmethoxypent-1-en-2-yl)cyclopentan-1-one?
The IUPAC name of cis-(2S,3R)-2-methyl-3-(5-phenylmethoxypent-1-en-2-yl)cyclopentan-1-one (CID 11975032) is cis-(2S,3R)-2-methyl-3-(5-phenylmethoxypent-1-en-2-yl)cyclopentan-1-one.
What is the SMILES notation for cis-(2S,3R)-2-methyl-3-(5-phenylmethoxypent-1-en-2-yl)cyclopentan-1-one?
The canonical SMILES for cis-(2S,3R)-2-methyl-3-(5-phenylmethoxypent-1-en-2-yl)cyclopentan-1-one is C=C(CCCOCc1ccccc1)[C@@H]1CCC(=O)[C@H]1C.
What is the InChIKey of cis-(2S,3R)-2-methyl-3-(5-phenylmethoxypent-1-en-2-yl)cyclopentan-1-one?
The InChIKey is YNSNKOUXOWVCQW-RDJZCZTQSA-N. The full InChI is InChI=1S/C18H24O2/c1-14(17-10-11-18(19)15(17)2)7-6-12-20-13-16-8-4-3-5-9-16/h3-5,8-9,15,17H,1,6-7,10-13H2,2H3/t15-,17-/m0/s1.
What are the key properties of cis-(2S,3R)-2-methyl-3-(5-phenylmethoxypent-1-en-2-yl)cyclopentan-1-one?
cis-(2S,3R)-2-methyl-3-(5-phenylmethoxypent-1-en-2-yl)cyclopentan-1-one has a molecular weight of 272.39 g/mol, XLogP of 4.15, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2S,3R)-2-methyl-3-(5-phenylmethoxypent-1-en-2-yl)cyclopentan-1-one is sourced from PubChem (CID 11975032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).