(3S,4S,5S,6R,7R,8R)-3,5,6,8-tetramethyldeca-1,9-diene-4,7-diol

C14H26O2 — CID 10857159

IUPAC(3S,4S,5S,6R,7R,8R)-3,5,6,8-tetramethyldeca-1,9-diene-4,7-diol
SMILESC=C[C@@H](C)[C@@H](O)[C@H](C)[C@H](C)[C@@H](O)[C@@H](C)C=C
InChIInChI=1S/C14H26O2/c1-7-9(3)13(15)11(5)12(6)14(16)10(4)8-2/h7-16H,1-2H2,3-6H3/t9-,10+,11-,12+,13-,14+
InChIKeyHRDHCTXCQGHHBF-LRRLDJKKSA-N
MW226.36 g/mol
LogP2.62
Rot. Bonds7

About (3S,4S,5S,6R,7R,8R)-3,5,6,8-tetramethyldeca-1,9-diene-4,7-diol

(3S,4S,5S,6R,7R,8R)-3,5,6,8-tetramethyldeca-1,9-diene-4,7-diol (PubChem CID 10857159) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is (3S,4S,5S,6R,7R,8R)-3,5,6,8-tetramethyldeca-1,9-diene-4,7-diol.

Molecular Properties

Compound Name(3S,4S,5S,6R,7R,8R)-3,5,6,8-tetramethyldeca-1,9-diene-4,7-diol
PubChem CID10857159
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name(3S,4S,5S,6R,7R,8R)-3,5,6,8-tetramethyldeca-1,9-diene-4,7-diol
SMILESC=C[C@@H](C)[C@@H](O)[C@H](C)[C@H](C)[C@@H](O)[C@@H](C)C=C
InChIInChI=1S/C14H26O2/c1-7-9(3)13(15)11(5)12(6)14(16)10(4)8-2/h7-16H,1-2H2,3-6H3/t9-,10+,11-,12+,13-,14+
InChIKeyHRDHCTXCQGHHBF-LRRLDJKKSA-N
XLogP2.62
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3S,4S,5S,6R,7R,8R)-3,5,6,8-tetramethyldeca-1,9-diene-4,7-diol with MolForge

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Related Compounds

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CID 11276209

Frequently Asked Questions

What is the IUPAC name of (3S,4S,5S,6R,7R,8R)-3,5,6,8-tetramethyldeca-1,9-diene-4,7-diol?
The IUPAC name of (3S,4S,5S,6R,7R,8R)-3,5,6,8-tetramethyldeca-1,9-diene-4,7-diol (CID 10857159) is (3S,4S,5S,6R,7R,8R)-3,5,6,8-tetramethyldeca-1,9-diene-4,7-diol.
What is the SMILES notation for (3S,4S,5S,6R,7R,8R)-3,5,6,8-tetramethyldeca-1,9-diene-4,7-diol?
The canonical SMILES for (3S,4S,5S,6R,7R,8R)-3,5,6,8-tetramethyldeca-1,9-diene-4,7-diol is C=C[C@@H](C)[C@@H](O)[C@H](C)[C@H](C)[C@@H](O)[C@@H](C)C=C.
What is the InChIKey of (3S,4S,5S,6R,7R,8R)-3,5,6,8-tetramethyldeca-1,9-diene-4,7-diol?
The InChIKey is HRDHCTXCQGHHBF-LRRLDJKKSA-N. The full InChI is InChI=1S/C14H26O2/c1-7-9(3)13(15)11(5)12(6)14(16)10(4)8-2/h7-16H,1-2H2,3-6H3/t9-,10+,11-,12+,13-,14+.
What are the key properties of (3S,4S,5S,6R,7R,8R)-3,5,6,8-tetramethyldeca-1,9-diene-4,7-diol?
(3S,4S,5S,6R,7R,8R)-3,5,6,8-tetramethyldeca-1,9-diene-4,7-diol has a molecular weight of 226.36 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5S,6R,7R,8R)-3,5,6,8-tetramethyldeca-1,9-diene-4,7-diol is sourced from PubChem (CID 10857159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).