1,3-bis[(1S,2R,3R,5R)-3-methoxy-2-methyl-5-prop-1-en-2-ylcyclopentyl]propan-2-one

C23H38O3 — CID 139623999

IUPAC1,3-bis[(1S,2R,3R,5R)-3-methoxy-2-methyl-5-prop-1-en-2-ylcyclopentyl]propan-2-one
SMILESC=C(C)[C@@H]1C[C@@H](OC)[C@H](C)[C@H]1CC(=O)C[C@@H]1[C@@H](C)[C@H](OC)C[C@H]1C(=C)C
InChIInChI=1S/C23H38O3/c1-13(2)18-11-22(25-7)15(5)20(18)9-17(24)10-21-16(6)23(26-8)12-19(21)14(3)4/h15-16,18-23H,1,3,9-12H2,2,4-8H3/t15-,16-,18+,19+,20-,21-,22-,23-/m1/s1
InChIKeyANSFELOCIHKOBE-NMYAZUGSSA-N
MW362.55 g/mol
LogP5.06
Rot. Bonds8

About 1,3-bis[(1S,2R,3R,5R)-3-methoxy-2-methyl-5-prop-1-en-2-ylcyclopentyl]propan-2-one

1,3-bis[(1S,2R,3R,5R)-3-methoxy-2-methyl-5-prop-1-en-2-ylcyclopentyl]propan-2-one (PubChem CID 139623999) has the molecular formula C23H38O3 and a molecular weight of 362.55 g/mol. Its IUPAC name is 1,3-bis[(1S,2R,3R,5R)-3-methoxy-2-methyl-5-prop-1-en-2-ylcyclopentyl]propan-2-one.

Molecular Properties

Compound Name1,3-bis[(1S,2R,3R,5R)-3-methoxy-2-methyl-5-prop-1-en-2-ylcyclopentyl]propan-2-one
PubChem CID139623999
Molecular FormulaC23H38O3
Molecular Weight362.55 g/mol
Exact Mass362.28
IUPAC Name1,3-bis[(1S,2R,3R,5R)-3-methoxy-2-methyl-5-prop-1-en-2-ylcyclopentyl]propan-2-one
SMILESC=C(C)[C@@H]1C[C@@H](OC)[C@H](C)[C@H]1CC(=O)C[C@@H]1[C@@H](C)[C@H](OC)C[C@H]1C(=C)C
InChIInChI=1S/C23H38O3/c1-13(2)18-11-22(25-7)15(5)20(18)9-17(24)10-21-16(6)23(26-8)12-19(21)14(3)4/h15-16,18-23H,1,3,9-12H2,2,4-8H3/t15-,16-,18+,19+,20-,21-,22-,23-/m1/s1
InChIKeyANSFELOCIHKOBE-NMYAZUGSSA-N
XLogP5.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.55
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,3-bis[(1S,2R,3R,5R)-3-methoxy-2-methyl-5-prop-1-en-2-ylcyclopentyl]propan-2-one with MolForge

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Related Compounds

(3aR,5R,6aR)-5-methoxy-3-methylidene-1,3a,4,5,6,6a-hexahydropentalen-2-one
CID 90137051
5-Methoxy-3-methylidene-1,3a,4,5,6,6a-hexahydropentalen-2-one
CID 123851982
(3aR,6aS)-4-ethenyl-5-ethoxy-3,3a,4,5,6,6a-hexahydro-2H-pentalen-1-one
CID 10655439

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(1S,2R,3R,5R)-3-methoxy-2-methyl-5-prop-1-en-2-ylcyclopentyl]propan-2-one?
The IUPAC name of 1,3-bis[(1S,2R,3R,5R)-3-methoxy-2-methyl-5-prop-1-en-2-ylcyclopentyl]propan-2-one (CID 139623999) is 1,3-bis[(1S,2R,3R,5R)-3-methoxy-2-methyl-5-prop-1-en-2-ylcyclopentyl]propan-2-one.
What is the SMILES notation for 1,3-bis[(1S,2R,3R,5R)-3-methoxy-2-methyl-5-prop-1-en-2-ylcyclopentyl]propan-2-one?
The canonical SMILES for 1,3-bis[(1S,2R,3R,5R)-3-methoxy-2-methyl-5-prop-1-en-2-ylcyclopentyl]propan-2-one is C=C(C)[C@@H]1C[C@@H](OC)[C@H](C)[C@H]1CC(=O)C[C@@H]1[C@@H](C)[C@H](OC)C[C@H]1C(=C)C.
What is the InChIKey of 1,3-bis[(1S,2R,3R,5R)-3-methoxy-2-methyl-5-prop-1-en-2-ylcyclopentyl]propan-2-one?
The InChIKey is ANSFELOCIHKOBE-NMYAZUGSSA-N. The full InChI is InChI=1S/C23H38O3/c1-13(2)18-11-22(25-7)15(5)20(18)9-17(24)10-21-16(6)23(26-8)12-19(21)14(3)4/h15-16,18-23H,1,3,9-12H2,2,4-8H3/t15-,16-,18+,19+,20-,21-,22-,23-/m1/s1.
What are the key properties of 1,3-bis[(1S,2R,3R,5R)-3-methoxy-2-methyl-5-prop-1-en-2-ylcyclopentyl]propan-2-one?
1,3-bis[(1S,2R,3R,5R)-3-methoxy-2-methyl-5-prop-1-en-2-ylcyclopentyl]propan-2-one has a molecular weight of 362.55 g/mol, XLogP of 5.06, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(1S,2R,3R,5R)-3-methoxy-2-methyl-5-prop-1-en-2-ylcyclopentyl]propan-2-one is sourced from PubChem (CID 139623999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).