3-(hydroxymethyl)-7-methyloct-2-ene-1,7-diol

C10H20O3 — CID 173441654

IUPAC3-(hydroxymethyl)-7-methyloct-2-ene-1,7-diol
SMILESCC(C)(O)CCCC(=CCO)CO
InChIInChI=1S/C10H20O3/c1-10(2,13)6-3-4-9(8-12)5-7-11/h5,11-13H,3-4,6-8H2,1-2H3
InChIKeyGDBRPNPMHNFXMD-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.84
Rot. Bonds6

About 3-(hydroxymethyl)-7-methyloct-2-ene-1,7-diol

3-(hydroxymethyl)-7-methyloct-2-ene-1,7-diol (PubChem CID 173441654) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-(hydroxymethyl)-7-methyloct-2-ene-1,7-diol.

Molecular Properties

Compound Name3-(hydroxymethyl)-7-methyloct-2-ene-1,7-diol
PubChem CID173441654
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name3-(hydroxymethyl)-7-methyloct-2-ene-1,7-diol
SMILESCC(C)(O)CCCC(=CCO)CO
InChIInChI=1S/C10H20O3/c1-10(2,13)6-3-4-9(8-12)5-7-11/h5,11-13H,3-4,6-8H2,1-2H3
InChIKeyGDBRPNPMHNFXMD-UHFFFAOYSA-N
XLogP0.84
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(hydroxymethyl)-7,11,15-trimethylhexadec-2-ene-1,15-diol
CID 78200754
8-bromo-3-(hydroxymethyl)-7-methyloct-2-ene-1,7-diol
CID 173443603
(E)-2-propylbut-2-ene-1,4-diol
CID 13265476
3-(hydroxymethyl)pent-2-ene-1,5-diol
CID 54163262
(E)-2,11-dimethyldodec-6-ene-2,11-diol
CID 87994195
(Z)-10-hydroxy-6,10-dimethylundec-5-en-2-one
CID 14537577
(E)-7-hydroxy-3,7-dimethyloct-2-enal
CID 13023839
(E)-3-ethyloct-2-en-1-ol
CID 13383767
(E)-7-ethoxy-3,7-dimethyloct-2-en-1-ol
CID 5368091
7-hydroxy-3,7-dimethyloct-2-enenitrile
CID 88756836
(E)-7-hydroxy-3,7-dimethyloct-2-enoic acid
CID 15726749
(E)-3-ethyldec-2-en-1-ol
CID 118599698

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-7-methyloct-2-ene-1,7-diol?
The IUPAC name of 3-(hydroxymethyl)-7-methyloct-2-ene-1,7-diol (CID 173441654) is 3-(hydroxymethyl)-7-methyloct-2-ene-1,7-diol.
What is the SMILES notation for 3-(hydroxymethyl)-7-methyloct-2-ene-1,7-diol?
The canonical SMILES for 3-(hydroxymethyl)-7-methyloct-2-ene-1,7-diol is CC(C)(O)CCCC(=CCO)CO.
What is the InChIKey of 3-(hydroxymethyl)-7-methyloct-2-ene-1,7-diol?
The InChIKey is GDBRPNPMHNFXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-10(2,13)6-3-4-9(8-12)5-7-11/h5,11-13H,3-4,6-8H2,1-2H3.
What are the key properties of 3-(hydroxymethyl)-7-methyloct-2-ene-1,7-diol?
3-(hydroxymethyl)-7-methyloct-2-ene-1,7-diol has a molecular weight of 188.27 g/mol, XLogP of 0.84, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-7-methyloct-2-ene-1,7-diol is sourced from PubChem (CID 173441654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).