3-methylhepta-5,6-diene-3,4-diol

C8H14O2 — CID 91104729

IUPAC3-methylhepta-5,6-diene-3,4-diol
SMILESC=C=CC(O)C(C)(O)CC
InChIInChI=1S/C8H14O2/c1-4-6-7(9)8(3,10)5-2/h6-7,9-10H,1,5H2,2-3H3
InChIKeyWROYGCJDRXGOAN-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.85
Rot. Bonds3

About 3-methylhepta-5,6-diene-3,4-diol

3-methylhepta-5,6-diene-3,4-diol (PubChem CID 91104729) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 3-methylhepta-5,6-diene-3,4-diol.

Molecular Properties

Compound Name3-methylhepta-5,6-diene-3,4-diol
PubChem CID91104729
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name3-methylhepta-5,6-diene-3,4-diol
SMILESC=C=CC(O)C(C)(O)CC
InChIInChI=1S/C8H14O2/c1-4-6-7(9)8(3,10)5-2/h6-7,9-10H,1,5H2,2-3H3
InChIKeyWROYGCJDRXGOAN-UHFFFAOYSA-N
XLogP0.85
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methylhepta-5,6-diene-3,4-diol?
The IUPAC name of 3-methylhepta-5,6-diene-3,4-diol (CID 91104729) is 3-methylhepta-5,6-diene-3,4-diol.
What is the SMILES notation for 3-methylhepta-5,6-diene-3,4-diol?
The canonical SMILES for 3-methylhepta-5,6-diene-3,4-diol is C=C=CC(O)C(C)(O)CC.
What is the InChIKey of 3-methylhepta-5,6-diene-3,4-diol?
The InChIKey is WROYGCJDRXGOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-4-6-7(9)8(3,10)5-2/h6-7,9-10H,1,5H2,2-3H3.
What are the key properties of 3-methylhepta-5,6-diene-3,4-diol?
3-methylhepta-5,6-diene-3,4-diol has a molecular weight of 142.20 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylhepta-5,6-diene-3,4-diol is sourced from PubChem (CID 91104729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).