(4E,7R,10S)-10-hydroxy-10-(hydroxymethyl)-4-methyl-7-prop-1-en-2-ylcyclodec-4-en-1-one

C15H24O3 — CID 14890299

IUPAC(4E,7R,10S)-10-hydroxy-10-(hydroxymethyl)-4-methyl-7-prop-1-en-2-ylcyclodec-4-en-1-one
SMILESC=C(C)[C@H]1C/C=C(\C)CCC(=O)[C@@](O)(CO)CC1
InChIInChI=1S/C15H24O3/c1-11(2)13-6-4-12(3)5-7-14(17)15(18,10-16)9-8-13/h4,13,16,18H,1,5-10H2,2-3H3/b12-4+/t13-,15-/m0/s1
InChIKeyVURQQJGBAOJANV-WNCBDUDASA-N
MW252.35 g/mol
LogP2.38
Rot. Bonds2

About (4E,7R,10S)-10-hydroxy-10-(hydroxymethyl)-4-methyl-7-prop-1-en-2-ylcyclodec-4-en-1-one

(4E,7R,10S)-10-hydroxy-10-(hydroxymethyl)-4-methyl-7-prop-1-en-2-ylcyclodec-4-en-1-one (PubChem CID 14890299) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is (4E,7R,10S)-10-hydroxy-10-(hydroxymethyl)-4-methyl-7-prop-1-en-2-ylcyclodec-4-en-1-one.

Molecular Properties

Compound Name(4E,7R,10S)-10-hydroxy-10-(hydroxymethyl)-4-methyl-7-prop-1-en-2-ylcyclodec-4-en-1-one
PubChem CID14890299
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name(4E,7R,10S)-10-hydroxy-10-(hydroxymethyl)-4-methyl-7-prop-1-en-2-ylcyclodec-4-en-1-one
SMILESC=C(C)[C@H]1C/C=C(\C)CCC(=O)[C@@](O)(CO)CC1
InChIInChI=1S/C15H24O3/c1-11(2)13-6-4-12(3)5-7-14(17)15(18,10-16)9-8-13/h4,13,16,18H,1,5-10H2,2-3H3/b12-4+/t13-,15-/m0/s1
InChIKeyVURQQJGBAOJANV-WNCBDUDASA-N
XLogP2.38
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (4E,7R,10S)-10-hydroxy-10-(hydroxymethyl)-4-methyl-7-prop-1-en-2-ylcyclodec-4-en-1-one?
The IUPAC name of (4E,7R,10S)-10-hydroxy-10-(hydroxymethyl)-4-methyl-7-prop-1-en-2-ylcyclodec-4-en-1-one (CID 14890299) is (4E,7R,10S)-10-hydroxy-10-(hydroxymethyl)-4-methyl-7-prop-1-en-2-ylcyclodec-4-en-1-one.
What is the SMILES notation for (4E,7R,10S)-10-hydroxy-10-(hydroxymethyl)-4-methyl-7-prop-1-en-2-ylcyclodec-4-en-1-one?
The canonical SMILES for (4E,7R,10S)-10-hydroxy-10-(hydroxymethyl)-4-methyl-7-prop-1-en-2-ylcyclodec-4-en-1-one is C=C(C)[C@H]1C/C=C(\C)CCC(=O)[C@@](O)(CO)CC1.
What is the InChIKey of (4E,7R,10S)-10-hydroxy-10-(hydroxymethyl)-4-methyl-7-prop-1-en-2-ylcyclodec-4-en-1-one?
The InChIKey is VURQQJGBAOJANV-WNCBDUDASA-N. The full InChI is InChI=1S/C15H24O3/c1-11(2)13-6-4-12(3)5-7-14(17)15(18,10-16)9-8-13/h4,13,16,18H,1,5-10H2,2-3H3/b12-4+/t13-,15-/m0/s1.
What are the key properties of (4E,7R,10S)-10-hydroxy-10-(hydroxymethyl)-4-methyl-7-prop-1-en-2-ylcyclodec-4-en-1-one?
(4E,7R,10S)-10-hydroxy-10-(hydroxymethyl)-4-methyl-7-prop-1-en-2-ylcyclodec-4-en-1-one has a molecular weight of 252.35 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,7R,10S)-10-hydroxy-10-(hydroxymethyl)-4-methyl-7-prop-1-en-2-ylcyclodec-4-en-1-one is sourced from PubChem (CID 14890299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).