(3R,6E,8S,10S)-2,6,10-trimethyldodeca-6,11-diene-2,3,8,10-tetrol

C15H28O4 — CID 91999075

IUPAC(3R,6E,8S,10S)-2,6,10-trimethyldodeca-6,11-diene-2,3,8,10-tetrol
SMILESC=C[C@@](C)(O)C[C@H](O)/C=C(\C)CC[C@@H](O)C(C)(C)O
InChIInChI=1S/C15H28O4/c1-6-15(5,19)10-12(16)9-11(2)7-8-13(17)14(3,4)18/h6,9,12-13,16-19H,1,7-8,10H2,2-5H3/b11-9+/t12-,13-,15-/m1/s1
InChIKeyVKUXRLCJNXHDAW-CGJGQCBQSA-N
MW272.38 g/mol
LogP1.53
Rot. Bonds8

About (3R,6E,8S,10S)-2,6,10-trimethyldodeca-6,11-diene-2,3,8,10-tetrol

(3R,6E,8S,10S)-2,6,10-trimethyldodeca-6,11-diene-2,3,8,10-tetrol (PubChem CID 91999075) has the molecular formula C15H28O4 and a molecular weight of 272.38 g/mol. Its IUPAC name is (3R,6E,8S,10S)-2,6,10-trimethyldodeca-6,11-diene-2,3,8,10-tetrol.

Molecular Properties

Compound Name(3R,6E,8S,10S)-2,6,10-trimethyldodeca-6,11-diene-2,3,8,10-tetrol
PubChem CID91999075
Molecular FormulaC15H28O4
Molecular Weight272.38 g/mol
Exact Mass272.20
IUPAC Name(3R,6E,8S,10S)-2,6,10-trimethyldodeca-6,11-diene-2,3,8,10-tetrol
SMILESC=C[C@@](C)(O)C[C@H](O)/C=C(\C)CC[C@@H](O)C(C)(C)O
InChIInChI=1S/C15H28O4/c1-6-15(5,19)10-12(16)9-11(2)7-8-13(17)14(3,4)18/h6,9,12-13,16-19H,1,7-8,10H2,2-5H3/b11-9+/t12-,13-,15-/m1/s1
InChIKeyVKUXRLCJNXHDAW-CGJGQCBQSA-N
XLogP1.53
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 51.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 (3R,6E,8S,10S)-2,6,10-trimethyldodeca-6,11-diene-2,3,8,10-tetrol?
The IUPAC name of (3R,6E,8S,10S)-2,6,10-trimethyldodeca-6,11-diene-2,3,8,10-tetrol (CID 91999075) is (3R,6E,8S,10S)-2,6,10-trimethyldodeca-6,11-diene-2,3,8,10-tetrol.
What is the SMILES notation for (3R,6E,8S,10S)-2,6,10-trimethyldodeca-6,11-diene-2,3,8,10-tetrol?
The canonical SMILES for (3R,6E,8S,10S)-2,6,10-trimethyldodeca-6,11-diene-2,3,8,10-tetrol is C=C[C@@](C)(O)C[C@H](O)/C=C(\C)CC[C@@H](O)C(C)(C)O.
What is the InChIKey of (3R,6E,8S,10S)-2,6,10-trimethyldodeca-6,11-diene-2,3,8,10-tetrol?
The InChIKey is VKUXRLCJNXHDAW-CGJGQCBQSA-N. The full InChI is InChI=1S/C15H28O4/c1-6-15(5,19)10-12(16)9-11(2)7-8-13(17)14(3,4)18/h6,9,12-13,16-19H,1,7-8,10H2,2-5H3/b11-9+/t12-,13-,15-/m1/s1.
What are the key properties of (3R,6E,8S,10S)-2,6,10-trimethyldodeca-6,11-diene-2,3,8,10-tetrol?
(3R,6E,8S,10S)-2,6,10-trimethyldodeca-6,11-diene-2,3,8,10-tetrol has a molecular weight of 272.38 g/mol, XLogP of 1.53, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6E,8S,10S)-2,6,10-trimethyldodeca-6,11-diene-2,3,8,10-tetrol is sourced from PubChem (CID 91999075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).