(E,3R)-3,7-dimethyloct-5-ene-1,7-diol

C10H20O2 — CID 14866289

IUPAC(E,3R)-3,7-dimethyloct-5-ene-1,7-diol
SMILESC[C@H](C/C=C/C(C)(C)O)CCO
InChIInChI=1S/C10H20O2/c1-9(6-8-11)5-4-7-10(2,3)12/h4,7,9,11-12H,5-6,8H2,1-3H3/b7-4+/t9-/m1/s1
InChIKeyVXRCLLPWPPTREM-ILFKPUCNSA-N
MW172.27 g/mol
LogP1.72
Rot. Bonds5

About (E,3R)-3,7-dimethyloct-5-ene-1,7-diol

(E,3R)-3,7-dimethyloct-5-ene-1,7-diol (PubChem CID 14866289) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is (E,3R)-3,7-dimethyloct-5-ene-1,7-diol.

Molecular Properties

Compound Name(E,3R)-3,7-dimethyloct-5-ene-1,7-diol
PubChem CID14866289
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name(E,3R)-3,7-dimethyloct-5-ene-1,7-diol
SMILESC[C@H](C/C=C/C(C)(C)O)CCO
InChIInChI=1S/C10H20O2/c1-9(6-8-11)5-4-7-10(2,3)12/h4,7,9,11-12H,5-6,8H2,1-3H3/b7-4+/t9-/m1/s1
InChIKeyVXRCLLPWPPTREM-ILFKPUCNSA-N
XLogP1.72
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.72
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 3019835
(E)-2,6-dimethyloct-3-en-2-ol
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CID 71401661
3-methyltetradec-5-en-1-ol
CID 141478890
(E)-3,7,11-trimethyldodec-4-en-1-yn-3-ol
CID 22623411
(3S)-3,4,4-trimethylpentan-1-ol
CID 124507131
2-methylbutan-2-ol;3-methylbutan-1-ol
CID 159050772
(E,6R)-2-methyl-6-(4-methylphenyl)hept-3-en-2-ol
CID 162868571
3,5,5-trimethylnon-8-en-1-ol
CID 123762841
3,4-ditert-butylhexane-1,6-diol
CID 174460247
4-fluoro-3-methylbutan-1-ol
CID 22000521
2,2,6,8,8-pentamethylnon-3-ene
CID 140692127

Frequently Asked Questions

What is the IUPAC name of (E,3R)-3,7-dimethyloct-5-ene-1,7-diol?
The IUPAC name of (E,3R)-3,7-dimethyloct-5-ene-1,7-diol (CID 14866289) is (E,3R)-3,7-dimethyloct-5-ene-1,7-diol.
What is the SMILES notation for (E,3R)-3,7-dimethyloct-5-ene-1,7-diol?
The canonical SMILES for (E,3R)-3,7-dimethyloct-5-ene-1,7-diol is C[C@H](C/C=C/C(C)(C)O)CCO.
What is the InChIKey of (E,3R)-3,7-dimethyloct-5-ene-1,7-diol?
The InChIKey is VXRCLLPWPPTREM-ILFKPUCNSA-N. The full InChI is InChI=1S/C10H20O2/c1-9(6-8-11)5-4-7-10(2,3)12/h4,7,9,11-12H,5-6,8H2,1-3H3/b7-4+/t9-/m1/s1.
What are the key properties of (E,3R)-3,7-dimethyloct-5-ene-1,7-diol?
(E,3R)-3,7-dimethyloct-5-ene-1,7-diol has a molecular weight of 172.27 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3R)-3,7-dimethyloct-5-ene-1,7-diol is sourced from PubChem (CID 14866289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).