(3R)-2,6-dimethyloct-6-ene-2,3-diol

C10H20O2 — CID 141318928

IUPAC(3R)-2,6-dimethyloct-6-ene-2,3-diol
SMILESCC=C(C)CC[C@@H](O)C(C)(C)O
InChIInChI=1S/C10H20O2/c1-5-8(2)6-7-9(11)10(3,4)12/h5,9,11-12H,6-7H2,1-4H3/t9-/m1/s1
InChIKeyVPJGDCTXZWAGSJ-SECBINFHSA-N
MW172.27 g/mol
LogP1.86
Rot. Bonds4

About (3R)-2,6-dimethyloct-6-ene-2,3-diol

(3R)-2,6-dimethyloct-6-ene-2,3-diol (PubChem CID 141318928) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is (3R)-2,6-dimethyloct-6-ene-2,3-diol.

Molecular Properties

Compound Name(3R)-2,6-dimethyloct-6-ene-2,3-diol
PubChem CID141318928
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name(3R)-2,6-dimethyloct-6-ene-2,3-diol
SMILESCC=C(C)CC[C@@H](O)C(C)(C)O
InChIInChI=1S/C10H20O2/c1-5-8(2)6-7-9(11)10(3,4)12/h5,9,11-12H,6-7H2,1-4H3/t9-/m1/s1
InChIKeyVPJGDCTXZWAGSJ-SECBINFHSA-N
XLogP1.86
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.86
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

(2Z,6Z)-3,7,11-trimethyldodeca-2,6-diene-1,10,11-triol
CID 15378080
(2E,6E)-10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienoic acid
CID 15825764
(2Z,6E,10R)-10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienoic acid
CID 156580639
(E)-6,7-dichloro-3,7-dimethyloct-2-ene
CID 22151192
(3S)-2-methylheptane-2,3,6-triol
CID 102349407
(E)-2,5-dimethylhept-5-en-2-ol
CID 10931542
(Z)-2,6,6-trimethylnon-7-ene-2,3-diol
CID 58545194
(3R)-2,9-dimethyldec-8-ene-2,3-diol
CID 134855668
[(3R,6E,10E,14E,18E,22R)-2,22,23-trihydroxy-2,6,10,15,19,23-hexamethyltetracosa-6,10,14,18-tetraen-3-yl] acetate
CID 24801245
(2,3,22,23-tetrahydroxy-2,6,10,15,19,23-hexamethyltetracosa-6,10,14,18-tetraenyl) acetate
CID 74319233
2,6-dimethyl-8-phenylmethoxyoct-6-ene-2,3-diol
CID 71340836
(3R,6R,7R,10R,11R,14R,15R,18R,19R,22R)-2,6,10,15,19,23-hexamethyltetracosane-2,3,6,7,10,11,14,15,18,19,22,23-dodecol
CID 134974140

Frequently Asked Questions

What is the IUPAC name of (3R)-2,6-dimethyloct-6-ene-2,3-diol?
The IUPAC name of (3R)-2,6-dimethyloct-6-ene-2,3-diol (CID 141318928) is (3R)-2,6-dimethyloct-6-ene-2,3-diol.
What is the SMILES notation for (3R)-2,6-dimethyloct-6-ene-2,3-diol?
The canonical SMILES for (3R)-2,6-dimethyloct-6-ene-2,3-diol is CC=C(C)CC[C@@H](O)C(C)(C)O.
What is the InChIKey of (3R)-2,6-dimethyloct-6-ene-2,3-diol?
The InChIKey is VPJGDCTXZWAGSJ-SECBINFHSA-N. The full InChI is InChI=1S/C10H20O2/c1-5-8(2)6-7-9(11)10(3,4)12/h5,9,11-12H,6-7H2,1-4H3/t9-/m1/s1.
What are the key properties of (3R)-2,6-dimethyloct-6-ene-2,3-diol?
(3R)-2,6-dimethyloct-6-ene-2,3-diol has a molecular weight of 172.27 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,6-dimethyloct-6-ene-2,3-diol is sourced from PubChem (CID 141318928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).