(3R)-2-methyl-6-methylideneoct-7-ene-2,3-diol

C10H18O2 — CID 11240729

IUPAC(3R)-2-methyl-6-methylideneoct-7-ene-2,3-diol
SMILESC=CC(=C)CC[C@@H](O)C(C)(C)O
InChIInChI=1S/C10H18O2/c1-5-8(2)6-7-9(11)10(3,4)12/h5,9,11-12H,1-2,6-7H2,3-4H3/t9-/m1/s1
InChIKeyRAMZBSSISHLRAN-SECBINFHSA-N
MW170.25 g/mol
LogP1.64
Rot. Bonds5

About (3R)-2-methyl-6-methylideneoct-7-ene-2,3-diol

(3R)-2-methyl-6-methylideneoct-7-ene-2,3-diol (PubChem CID 11240729) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (3R)-2-methyl-6-methylideneoct-7-ene-2,3-diol.

Molecular Properties

Compound Name(3R)-2-methyl-6-methylideneoct-7-ene-2,3-diol
PubChem CID11240729
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(3R)-2-methyl-6-methylideneoct-7-ene-2,3-diol
SMILESC=CC(=C)CC[C@@H](O)C(C)(C)O
InChIInChI=1S/C10H18O2/c1-5-8(2)6-7-9(11)10(3,4)12/h5,9,11-12H,1-2,6-7H2,3-4H3/t9-/m1/s1
InChIKeyRAMZBSSISHLRAN-SECBINFHSA-N
XLogP1.64
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Myrcenol
CID 10975
1,7-Octadiene-3,6-diol, 2,6-dimethyl-
CID 548927
7-Methyl-3-methylene-1,6,7-octanetriol
CID 10607654
(6E)-2,6,10-Trimethyldodeca-6,11-diene-2,3,10-triol
CID 14139796
(3S,6E,10S)-2,6,10-trimethyldodeca-6,11-diene-2,3,10-triol
CID 10355067
2-Methyl-6-methylene-7-octene-2,3-diol
CID 14733972
(3R,6S)-2,6-dimethylocta-1,7-diene-3,6-diol
CID 154495976
(3R,4R)-4-ethenyl-2,5-dimethylhex-5-ene-2,3-diol
CID 162979485
(3S,4S)-4-ethenyl-2,5-dimethylhex-5-ene-2,3-diol
CID 163189878
(3S,6E,10E,14S)-2,6,10,14-tetramethylhexadeca-6,10,15-triene-2,3,14-triol
CID 163195364
(3S,6S)-2,6-dimethyloct-7-ene-2,3-diol
CID 1764528
1,2-Dihydroxyphytofluene
CID 87443987

Frequently Asked Questions

What is the IUPAC name of (3R)-2-methyl-6-methylideneoct-7-ene-2,3-diol?
The IUPAC name of (3R)-2-methyl-6-methylideneoct-7-ene-2,3-diol (CID 11240729) is (3R)-2-methyl-6-methylideneoct-7-ene-2,3-diol.
What is the SMILES notation for (3R)-2-methyl-6-methylideneoct-7-ene-2,3-diol?
The canonical SMILES for (3R)-2-methyl-6-methylideneoct-7-ene-2,3-diol is C=CC(=C)CC[C@@H](O)C(C)(C)O.
What is the InChIKey of (3R)-2-methyl-6-methylideneoct-7-ene-2,3-diol?
The InChIKey is RAMZBSSISHLRAN-SECBINFHSA-N. The full InChI is InChI=1S/C10H18O2/c1-5-8(2)6-7-9(11)10(3,4)12/h5,9,11-12H,1-2,6-7H2,3-4H3/t9-/m1/s1.
What are the key properties of (3R)-2-methyl-6-methylideneoct-7-ene-2,3-diol?
(3R)-2-methyl-6-methylideneoct-7-ene-2,3-diol has a molecular weight of 170.25 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-methyl-6-methylideneoct-7-ene-2,3-diol is sourced from PubChem (CID 11240729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).