(3E,5S,8S,14S)-5,8-dihydroxy-14-methyl-1-oxacyclotetradec-3-en-2-one

C14H24O4 — CID 132525150

IUPAC(3E,5S,8S,14S)-5,8-dihydroxy-14-methyl-1-oxacyclotetradec-3-en-2-one
SMILESC[C@H]1CCCCC[C@H](O)CC[C@H](O)/C=C/C(=O)O1
InChIInChI=1S/C14H24O4/c1-11-5-3-2-4-6-12(15)7-8-13(16)9-10-14(17)18-11/h9-13,15-16H,2-8H2,1H3/b10-9+/t11-,12-,13-/m0/s1
InChIKeyKKYDBOLPIVXUQZ-SVXIUJPZSA-N
MW256.34 g/mol
LogP1.94
Rot. Bonds

About (3E,5S,8S,14S)-5,8-dihydroxy-14-methyl-1-oxacyclotetradec-3-en-2-one

(3E,5S,8S,14S)-5,8-dihydroxy-14-methyl-1-oxacyclotetradec-3-en-2-one (PubChem CID 132525150) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is (3E,5S,8S,14S)-5,8-dihydroxy-14-methyl-1-oxacyclotetradec-3-en-2-one.

Molecular Properties

Compound Name(3E,5S,8S,14S)-5,8-dihydroxy-14-methyl-1-oxacyclotetradec-3-en-2-one
PubChem CID132525150
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name(3E,5S,8S,14S)-5,8-dihydroxy-14-methyl-1-oxacyclotetradec-3-en-2-one
SMILESC[C@H]1CCCCC[C@H](O)CC[C@H](O)/C=C/C(=O)O1
InChIInChI=1S/C14H24O4/c1-11-5-3-2-4-6-12(15)7-8-13(16)9-10-14(17)18-11/h9-13,15-16H,2-8H2,1H3/b10-9+/t11-,12-,13-/m0/s1
InChIKeyKKYDBOLPIVXUQZ-SVXIUJPZSA-N
XLogP1.94
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3E,5S,8S,14S)-5,8-dihydroxy-14-methyl-1-oxacyclotetradec-3-en-2-one?
The IUPAC name of (3E,5S,8S,14S)-5,8-dihydroxy-14-methyl-1-oxacyclotetradec-3-en-2-one (CID 132525150) is (3E,5S,8S,14S)-5,8-dihydroxy-14-methyl-1-oxacyclotetradec-3-en-2-one.
What is the SMILES notation for (3E,5S,8S,14S)-5,8-dihydroxy-14-methyl-1-oxacyclotetradec-3-en-2-one?
The canonical SMILES for (3E,5S,8S,14S)-5,8-dihydroxy-14-methyl-1-oxacyclotetradec-3-en-2-one is C[C@H]1CCCCC[C@H](O)CC[C@H](O)/C=C/C(=O)O1.
What is the InChIKey of (3E,5S,8S,14S)-5,8-dihydroxy-14-methyl-1-oxacyclotetradec-3-en-2-one?
The InChIKey is KKYDBOLPIVXUQZ-SVXIUJPZSA-N. The full InChI is InChI=1S/C14H24O4/c1-11-5-3-2-4-6-12(15)7-8-13(16)9-10-14(17)18-11/h9-13,15-16H,2-8H2,1H3/b10-9+/t11-,12-,13-/m0/s1.
What are the key properties of (3E,5S,8S,14S)-5,8-dihydroxy-14-methyl-1-oxacyclotetradec-3-en-2-one?
(3E,5S,8S,14S)-5,8-dihydroxy-14-methyl-1-oxacyclotetradec-3-en-2-one has a molecular weight of 256.34 g/mol, XLogP of 1.94, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5S,8S,14S)-5,8-dihydroxy-14-methyl-1-oxacyclotetradec-3-en-2-one is sourced from PubChem (CID 132525150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).