(4S,6S)-5,5-dimethylnona-1,8-diene-4,6-diol

C11H20O2 — CID 71663609

IUPAC(4S,6S)-5,5-dimethylnona-1,8-diene-4,6-diol
SMILESC=CC[C@H](O)C(C)(C)[C@@H](O)CC=C
InChIInChI=1S/C11H20O2/c1-5-7-9(12)11(3,4)10(13)8-6-2/h5-6,9-10,12-13H,1-2,7-8H2,3-4H3/t9-,10-/m0/s1
InChIKeyQLRPWSGFPOVURF-UWVGGRQHSA-N
MW184.28 g/mol
LogP1.89
Rot. Bonds6

About (4S,6S)-5,5-dimethylnona-1,8-diene-4,6-diol

(4S,6S)-5,5-dimethylnona-1,8-diene-4,6-diol (PubChem CID 71663609) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (4S,6S)-5,5-dimethylnona-1,8-diene-4,6-diol.

Molecular Properties

Compound Name(4S,6S)-5,5-dimethylnona-1,8-diene-4,6-diol
PubChem CID71663609
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(4S,6S)-5,5-dimethylnona-1,8-diene-4,6-diol
SMILESC=CC[C@H](O)C(C)(C)[C@@H](O)CC=C
InChIInChI=1S/C11H20O2/c1-5-7-9(12)11(3,4)10(13)8-6-2/h5-6,9-10,12-13H,1-2,7-8H2,3-4H3/t9-,10-/m0/s1
InChIKeyQLRPWSGFPOVURF-UWVGGRQHSA-N
XLogP1.89
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 10351801
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CID 85973362
Triallylpentaerythrit
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2,2-Bis(hydroxymethyl)-3-prop-2-enylhex-5-ene-1,3-diol
CID 132280866
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6,8,8-Trimethylnon-1-en-4-ol
CID 88756750
(3S,4R,5R)-5-ethyl-4-fluoro-4,5-dimethylhept-6-en-3-ol
CID 134575366
(S)-(E)-4,4-dimethyl-5-ethyl-5-heptene-1,3-diol
CID 10954262
2,2-Dimethylhept-6-en-3-ol
CID 12541916
6,6-Dimethylhept-1-en-4-ol
CID 13167008
3,3-Dimethylnon-1-en-4-ol
CID 10866773

Frequently Asked Questions

What is the IUPAC name of (4S,6S)-5,5-dimethylnona-1,8-diene-4,6-diol?
The IUPAC name of (4S,6S)-5,5-dimethylnona-1,8-diene-4,6-diol (CID 71663609) is (4S,6S)-5,5-dimethylnona-1,8-diene-4,6-diol.
What is the SMILES notation for (4S,6S)-5,5-dimethylnona-1,8-diene-4,6-diol?
The canonical SMILES for (4S,6S)-5,5-dimethylnona-1,8-diene-4,6-diol is C=CC[C@H](O)C(C)(C)[C@@H](O)CC=C.
What is the InChIKey of (4S,6S)-5,5-dimethylnona-1,8-diene-4,6-diol?
The InChIKey is QLRPWSGFPOVURF-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H20O2/c1-5-7-9(12)11(3,4)10(13)8-6-2/h5-6,9-10,12-13H,1-2,7-8H2,3-4H3/t9-,10-/m0/s1.
What are the key properties of (4S,6S)-5,5-dimethylnona-1,8-diene-4,6-diol?
(4S,6S)-5,5-dimethylnona-1,8-diene-4,6-diol has a molecular weight of 184.28 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6S)-5,5-dimethylnona-1,8-diene-4,6-diol is sourced from PubChem (CID 71663609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).