(2S,3E)-3,7-dimethylocta-3,6-diene-1,2-diol

C10H18O2 — CID 11789646

IUPAC(2S,3E)-3,7-dimethylocta-3,6-diene-1,2-diol
SMILESCC(C)=CC/C=C(\C)[C@H](O)CO
InChIInChI=1S/C10H18O2/c1-8(2)5-4-6-9(3)10(12)7-11/h5-6,10-12H,4,7H2,1-3H3/b9-6+/t10-/m1/s1
InChIKeyIYRZZSKRQNSOTP-OLKPEBQYSA-N
MW170.25 g/mol
LogP1.64
Rot. Bonds4

About (2S,3E)-3,7-dimethylocta-3,6-diene-1,2-diol

(2S,3E)-3,7-dimethylocta-3,6-diene-1,2-diol (PubChem CID 11789646) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (2S,3E)-3,7-dimethylocta-3,6-diene-1,2-diol.

Molecular Properties

Compound Name(2S,3E)-3,7-dimethylocta-3,6-diene-1,2-diol
PubChem CID11789646
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(2S,3E)-3,7-dimethylocta-3,6-diene-1,2-diol
SMILESCC(C)=CC/C=C(\C)[C@H](O)CO
InChIInChI=1S/C10H18O2/c1-8(2)5-4-6-9(3)10(12)7-11/h5-6,10-12H,4,7H2,1-3H3/b9-6+/t10-/m1/s1
InChIKeyIYRZZSKRQNSOTP-OLKPEBQYSA-N
XLogP1.64
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S,3Z)-3,7-dimethylocta-3,6-dien-2-ol
CID 90477861
(2E)-2-methoxy-6-methylhepta-2,5-diene
CID 143367783
(2E)-3,7-dimethylocta-2,6-diene-1,4-diol
CID 22323960
(2Z,4S)-3,7-dimethylocta-2,6-diene-1,4-diol
CID 154496007
3,7-dimethyloct-3-ene-1,2,6,7-tetrol
CID 54231023
2,6-dimethylhepta-2,5-diene;(3S)-3-hydroxy-6-methylhept-5-en-2-one
CID 160955603
(2S,3Z,6E)-1-bromo-3,7,11-trimethyldodeca-3,6,10-trien-2-ol
CID 162966744
(2E)-2-ethyl-6-methylhepta-2,5-diene-1,1-diol
CID 88527000
2-iodo-6-methylhepta-2,5-diene
CID 71330256
(2E)-2-fluoro-6-methylhepta-2,5-diene
CID 143576133
(2Z)-2-bromo-6-methylhepta-2,5-diene
CID 177405948
(2E)-2-bromo-6-methylhepta-2,5-diene
CID 10899422

Frequently Asked Questions

What is the IUPAC name of (2S,3E)-3,7-dimethylocta-3,6-diene-1,2-diol?
The IUPAC name of (2S,3E)-3,7-dimethylocta-3,6-diene-1,2-diol (CID 11789646) is (2S,3E)-3,7-dimethylocta-3,6-diene-1,2-diol.
What is the SMILES notation for (2S,3E)-3,7-dimethylocta-3,6-diene-1,2-diol?
The canonical SMILES for (2S,3E)-3,7-dimethylocta-3,6-diene-1,2-diol is CC(C)=CC/C=C(\C)[C@H](O)CO.
What is the InChIKey of (2S,3E)-3,7-dimethylocta-3,6-diene-1,2-diol?
The InChIKey is IYRZZSKRQNSOTP-OLKPEBQYSA-N. The full InChI is InChI=1S/C10H18O2/c1-8(2)5-4-6-9(3)10(12)7-11/h5-6,10-12H,4,7H2,1-3H3/b9-6+/t10-/m1/s1.
What are the key properties of (2S,3E)-3,7-dimethylocta-3,6-diene-1,2-diol?
(2S,3E)-3,7-dimethylocta-3,6-diene-1,2-diol has a molecular weight of 170.25 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3E)-3,7-dimethylocta-3,6-diene-1,2-diol is sourced from PubChem (CID 11789646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).