(3R)-2,9-dimethyldec-8-ene-2,3-diol

C12H24O2 — CID 134855668

IUPAC(3R)-2,9-dimethyldec-8-ene-2,3-diol
SMILESCC(C)=CCCCC[C@@H](O)C(C)(C)O
InChIInChI=1S/C12H24O2/c1-10(2)8-6-5-7-9-11(13)12(3,4)14/h8,11,13-14H,5-7,9H2,1-4H3/t11-/m1/s1
InChIKeyBEUAWRUTBMETJW-LLVKDONJSA-N
MW200.32 g/mol
LogP2.64
Rot. Bonds6

About (3R)-2,9-dimethyldec-8-ene-2,3-diol

(3R)-2,9-dimethyldec-8-ene-2,3-diol (PubChem CID 134855668) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is (3R)-2,9-dimethyldec-8-ene-2,3-diol.

Molecular Properties

Compound Name(3R)-2,9-dimethyldec-8-ene-2,3-diol
PubChem CID134855668
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name(3R)-2,9-dimethyldec-8-ene-2,3-diol
SMILESCC(C)=CCCCC[C@@H](O)C(C)(C)O
InChIInChI=1S/C12H24O2/c1-10(2)8-6-5-7-9-11(13)12(3,4)14/h8,11,13-14H,5-7,9H2,1-4H3/t11-/m1/s1
InChIKeyBEUAWRUTBMETJW-LLVKDONJSA-N
XLogP2.64
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyldodecane-2,3-diol
CID 90439854
2-methylheptadecane-2,3-diol
CID 90439823
13-methyltetradecane-1,12,13-triol
CID 90439785
16-methylheptadecane-1,15,16-triol
CID 90439756
(6R,7S)-7-ethenyl-7,11-dimethyldodec-10-en-6-ol
CID 10105646
(3R)-2,6-dimethyloct-6-ene-2,3-diol
CID 141318928
(2Z,6Z)-3,7,11-trimethyldodeca-2,6-diene-1,10,11-triol
CID 15378080
(7R,8S)-2-methyloctadec-2-ene-7,8-diol
CID 13420628
(2R,3R)-3,7-dimethyloct-6-ene-1,2,3-triol
CID 10976249
(2E,6E,10S,11S,15S,19S,23R,27R,31R)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,34-triene-1,10,11,15,19,23,27,31-octol
CID 124825354
2,7-dimethyloct-6-ene-1,2-diol
CID 10654785
(6E,10S,11S,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,14,18,22-pentaene-10,11-diol
CID 10456150

Frequently Asked Questions

What is the IUPAC name of (3R)-2,9-dimethyldec-8-ene-2,3-diol?
The IUPAC name of (3R)-2,9-dimethyldec-8-ene-2,3-diol (CID 134855668) is (3R)-2,9-dimethyldec-8-ene-2,3-diol.
What is the SMILES notation for (3R)-2,9-dimethyldec-8-ene-2,3-diol?
The canonical SMILES for (3R)-2,9-dimethyldec-8-ene-2,3-diol is CC(C)=CCCCC[C@@H](O)C(C)(C)O.
What is the InChIKey of (3R)-2,9-dimethyldec-8-ene-2,3-diol?
The InChIKey is BEUAWRUTBMETJW-LLVKDONJSA-N. The full InChI is InChI=1S/C12H24O2/c1-10(2)8-6-5-7-9-11(13)12(3,4)14/h8,11,13-14H,5-7,9H2,1-4H3/t11-/m1/s1.
What are the key properties of (3R)-2,9-dimethyldec-8-ene-2,3-diol?
(3R)-2,9-dimethyldec-8-ene-2,3-diol has a molecular weight of 200.32 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,9-dimethyldec-8-ene-2,3-diol is sourced from PubChem (CID 134855668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).