cis-(2R,3R)-2-[(1S)-1-hydroxy-2,2-dimethylpent-4-enyl]-3-prop-1-en-2-ylcyclopentan-1-one

C15H24O2 — CID 53466025

IUPACcis-(2R,3R)-2-[(1S)-1-hydroxy-2,2-dimethylpent-4-enyl]-3-prop-1-en-2-ylcyclopentan-1-one
SMILESC=CCC(C)(C)[C@@H](O)[C@@H]1C(=O)CC[C@H]1C(=C)C
InChIInChI=1S/C15H24O2/c1-6-9-15(4,5)14(17)13-11(10(2)3)7-8-12(13)16/h6,11,13-14,17H,1-2,7-9H2,3-5H3/t11-,13-,14-/m0/s1
InChIKeyXKMUDKSSUJGVOU-UBHSHLNASA-N
MW236.35 g/mol
LogP3.12
Rot. Bonds5

About cis-(2R,3R)-2-[(1S)-1-hydroxy-2,2-dimethylpent-4-enyl]-3-prop-1-en-2-ylcyclopentan-1-one

cis-(2R,3R)-2-[(1S)-1-hydroxy-2,2-dimethylpent-4-enyl]-3-prop-1-en-2-ylcyclopentan-1-one (PubChem CID 53466025) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is cis-(2R,3R)-2-[(1S)-1-hydroxy-2,2-dimethylpent-4-enyl]-3-prop-1-en-2-ylcyclopentan-1-one.

Molecular Properties

Compound Namecis-(2R,3R)-2-[(1S)-1-hydroxy-2,2-dimethylpent-4-enyl]-3-prop-1-en-2-ylcyclopentan-1-one
PubChem CID53466025
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Namecis-(2R,3R)-2-[(1S)-1-hydroxy-2,2-dimethylpent-4-enyl]-3-prop-1-en-2-ylcyclopentan-1-one
SMILESC=CCC(C)(C)[C@@H](O)[C@@H]1C(=O)CC[C@H]1C(=C)C
InChIInChI=1S/C15H24O2/c1-6-9-15(4,5)14(17)13-11(10(2)3)7-8-12(13)16/h6,11,13-14,17H,1-2,7-9H2,3-5H3/t11-,13-,14-/m0/s1
InChIKeyXKMUDKSSUJGVOU-UBHSHLNASA-N
XLogP3.12
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cis-(2R,3R)-2-[(1S)-1-hydroxy-2,2-dimethylpent-4-enyl]-3-prop-1-en-2-ylcyclopentan-1-one?
The IUPAC name of cis-(2R,3R)-2-[(1S)-1-hydroxy-2,2-dimethylpent-4-enyl]-3-prop-1-en-2-ylcyclopentan-1-one (CID 53466025) is cis-(2R,3R)-2-[(1S)-1-hydroxy-2,2-dimethylpent-4-enyl]-3-prop-1-en-2-ylcyclopentan-1-one.
What is the SMILES notation for cis-(2R,3R)-2-[(1S)-1-hydroxy-2,2-dimethylpent-4-enyl]-3-prop-1-en-2-ylcyclopentan-1-one?
The canonical SMILES for cis-(2R,3R)-2-[(1S)-1-hydroxy-2,2-dimethylpent-4-enyl]-3-prop-1-en-2-ylcyclopentan-1-one is C=CCC(C)(C)[C@@H](O)[C@@H]1C(=O)CC[C@H]1C(=C)C.
What is the InChIKey of cis-(2R,3R)-2-[(1S)-1-hydroxy-2,2-dimethylpent-4-enyl]-3-prop-1-en-2-ylcyclopentan-1-one?
The InChIKey is XKMUDKSSUJGVOU-UBHSHLNASA-N. The full InChI is InChI=1S/C15H24O2/c1-6-9-15(4,5)14(17)13-11(10(2)3)7-8-12(13)16/h6,11,13-14,17H,1-2,7-9H2,3-5H3/t11-,13-,14-/m0/s1.
What are the key properties of cis-(2R,3R)-2-[(1S)-1-hydroxy-2,2-dimethylpent-4-enyl]-3-prop-1-en-2-ylcyclopentan-1-one?
cis-(2R,3R)-2-[(1S)-1-hydroxy-2,2-dimethylpent-4-enyl]-3-prop-1-en-2-ylcyclopentan-1-one has a molecular weight of 236.35 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2R,3R)-2-[(1S)-1-hydroxy-2,2-dimethylpent-4-enyl]-3-prop-1-en-2-ylcyclopentan-1-one is sourced from PubChem (CID 53466025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).