(E,2R,3S)-7-methyl-10-phenyl-2-(1-prop-1-en-2-ylcyclopropyl)dec-7-en-4-yne-2,3-diol

C23H30O2 — CID 44607282

IUPAC(E,2R,3S)-7-methyl-10-phenyl-2-(1-prop-1-en-2-ylcyclopropyl)dec-7-en-4-yne-2,3-diol
SMILESC=C(C)C1([C@@](C)(O)[C@@H](O)C#CC/C(C)=C/CCc2ccccc2)CC1
InChIInChI=1S/C23H30O2/c1-18(2)23(16-17-23)22(4,25)21(24)15-9-11-19(3)10-8-14-20-12-6-5-7-13-20/h5-7,10,12-13,21,24-25H,1,8,11,14,16-17H2,2-4H3/b19-10+/t21-,22-/m0/s1
InChIKeyDAKAPNJXYUXWOH-LTNQGDBYSA-N
MW338.49 g/mol
LogP4.43
Rot. Bonds7

About (E,2R,3S)-7-methyl-10-phenyl-2-(1-prop-1-en-2-ylcyclopropyl)dec-7-en-4-yne-2,3-diol

(E,2R,3S)-7-methyl-10-phenyl-2-(1-prop-1-en-2-ylcyclopropyl)dec-7-en-4-yne-2,3-diol (PubChem CID 44607282) has the molecular formula C23H30O2 and a molecular weight of 338.49 g/mol. Its IUPAC name is (E,2R,3S)-7-methyl-10-phenyl-2-(1-prop-1-en-2-ylcyclopropyl)dec-7-en-4-yne-2,3-diol.

Molecular Properties

Compound Name(E,2R,3S)-7-methyl-10-phenyl-2-(1-prop-1-en-2-ylcyclopropyl)dec-7-en-4-yne-2,3-diol
PubChem CID44607282
Molecular FormulaC23H30O2
Molecular Weight338.49 g/mol
Exact Mass338.22
IUPAC Name(E,2R,3S)-7-methyl-10-phenyl-2-(1-prop-1-en-2-ylcyclopropyl)dec-7-en-4-yne-2,3-diol
SMILESC=C(C)C1([C@@](C)(O)[C@@H](O)C#CC/C(C)=C/CCc2ccccc2)CC1
InChIInChI=1S/C23H30O2/c1-18(2)23(16-17-23)22(4,25)21(24)15-9-11-19(3)10-8-14-20-12-6-5-7-13-20/h5-7,10,12-13,21,24-25H,1,8,11,14,16-17H2,2-4H3/b19-10+/t21-,22-/m0/s1
InChIKeyDAKAPNJXYUXWOH-LTNQGDBYSA-N
XLogP4.43
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.49
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,2R,3S)-7-methyl-10-phenyl-2-(1-prop-1-en-2-ylcyclopropyl)dec-7-en-4-yne-2,3-diol?
The IUPAC name of (E,2R,3S)-7-methyl-10-phenyl-2-(1-prop-1-en-2-ylcyclopropyl)dec-7-en-4-yne-2,3-diol (CID 44607282) is (E,2R,3S)-7-methyl-10-phenyl-2-(1-prop-1-en-2-ylcyclopropyl)dec-7-en-4-yne-2,3-diol.
What is the SMILES notation for (E,2R,3S)-7-methyl-10-phenyl-2-(1-prop-1-en-2-ylcyclopropyl)dec-7-en-4-yne-2,3-diol?
The canonical SMILES for (E,2R,3S)-7-methyl-10-phenyl-2-(1-prop-1-en-2-ylcyclopropyl)dec-7-en-4-yne-2,3-diol is C=C(C)C1([C@@](C)(O)[C@@H](O)C#CC/C(C)=C/CCc2ccccc2)CC1.
What is the InChIKey of (E,2R,3S)-7-methyl-10-phenyl-2-(1-prop-1-en-2-ylcyclopropyl)dec-7-en-4-yne-2,3-diol?
The InChIKey is DAKAPNJXYUXWOH-LTNQGDBYSA-N. The full InChI is InChI=1S/C23H30O2/c1-18(2)23(16-17-23)22(4,25)21(24)15-9-11-19(3)10-8-14-20-12-6-5-7-13-20/h5-7,10,12-13,21,24-25H,1,8,11,14,16-17H2,2-4H3/b19-10+/t21-,22-/m0/s1.
What are the key properties of (E,2R,3S)-7-methyl-10-phenyl-2-(1-prop-1-en-2-ylcyclopropyl)dec-7-en-4-yne-2,3-diol?
(E,2R,3S)-7-methyl-10-phenyl-2-(1-prop-1-en-2-ylcyclopropyl)dec-7-en-4-yne-2,3-diol has a molecular weight of 338.49 g/mol, XLogP of 4.43, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R,3S)-7-methyl-10-phenyl-2-(1-prop-1-en-2-ylcyclopropyl)dec-7-en-4-yne-2,3-diol is sourced from PubChem (CID 44607282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).