(3S,6E,10S)-2,6,10-trimethyldodeca-6,11-diene-2,3,10-triol

C15H28O3 — CID 10355067

IUPAC(3S,6E,10S)-2,6,10-trimethyldodeca-6,11-diene-2,3,10-triol
SMILESC=C[C@@](C)(O)CC/C=C(\C)CC[C@H](O)C(C)(C)O
InChIInChI=1S/C15H28O3/c1-6-15(5,18)11-7-8-12(2)9-10-13(16)14(3,4)17/h6,8,13,16-18H,1,7,9-11H2,2-5H3/b12-8+/t13-,15+/m0/s1
InChIKeyBGUYVWYUIXKRDO-SIRQDLBWSA-N
MW256.39 g/mol
LogP2.56
Rot. Bonds8

About (3S,6E,10S)-2,6,10-trimethyldodeca-6,11-diene-2,3,10-triol

(3S,6E,10S)-2,6,10-trimethyldodeca-6,11-diene-2,3,10-triol (PubChem CID 10355067) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is (3S,6E,10S)-2,6,10-trimethyldodeca-6,11-diene-2,3,10-triol.

Molecular Properties

Compound Name(3S,6E,10S)-2,6,10-trimethyldodeca-6,11-diene-2,3,10-triol
PubChem CID10355067
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Name(3S,6E,10S)-2,6,10-trimethyldodeca-6,11-diene-2,3,10-triol
SMILESC=C[C@@](C)(O)CC/C=C(\C)CC[C@H](O)C(C)(C)O
InChIInChI=1S/C15H28O3/c1-6-15(5,18)11-7-8-12(2)9-10-13(16)14(3,4)17/h6,8,13,16-18H,1,7,9-11H2,2-5H3/b12-8+/t13-,15+/m0/s1
InChIKeyBGUYVWYUIXKRDO-SIRQDLBWSA-N
XLogP2.56
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.56
H-Bond Donors ≤ 53
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 (3S,6E,10S)-2,6,10-trimethyldodeca-6,11-diene-2,3,10-triol?
The IUPAC name of (3S,6E,10S)-2,6,10-trimethyldodeca-6,11-diene-2,3,10-triol (CID 10355067) is (3S,6E,10S)-2,6,10-trimethyldodeca-6,11-diene-2,3,10-triol.
What is the SMILES notation for (3S,6E,10S)-2,6,10-trimethyldodeca-6,11-diene-2,3,10-triol?
The canonical SMILES for (3S,6E,10S)-2,6,10-trimethyldodeca-6,11-diene-2,3,10-triol is C=C[C@@](C)(O)CC/C=C(\C)CC[C@H](O)C(C)(C)O.
What is the InChIKey of (3S,6E,10S)-2,6,10-trimethyldodeca-6,11-diene-2,3,10-triol?
The InChIKey is BGUYVWYUIXKRDO-SIRQDLBWSA-N. The full InChI is InChI=1S/C15H28O3/c1-6-15(5,18)11-7-8-12(2)9-10-13(16)14(3,4)17/h6,8,13,16-18H,1,7,9-11H2,2-5H3/b12-8+/t13-,15+/m0/s1.
What are the key properties of (3S,6E,10S)-2,6,10-trimethyldodeca-6,11-diene-2,3,10-triol?
(3S,6E,10S)-2,6,10-trimethyldodeca-6,11-diene-2,3,10-triol has a molecular weight of 256.39 g/mol, XLogP of 2.56, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6E,10S)-2,6,10-trimethyldodeca-6,11-diene-2,3,10-triol is sourced from PubChem (CID 10355067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).