3-(hydroxymethyl)-7-methylocta-2,7-diene-1,6-diol

C10H18O3 — CID 72732359

IUPAC3-(hydroxymethyl)-7-methylocta-2,7-diene-1,6-diol
SMILESC=C(C)C(O)CCC(=CCO)CO
InChIInChI=1S/C10H18O3/c1-8(2)10(13)4-3-9(7-12)5-6-11/h5,10-13H,1,3-4,6-7H2,2H3
InChIKeyRDOGOMPUCIUOGB-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.61
Rot. Bonds6

About 3-(hydroxymethyl)-7-methylocta-2,7-diene-1,6-diol

3-(hydroxymethyl)-7-methylocta-2,7-diene-1,6-diol (PubChem CID 72732359) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 3-(hydroxymethyl)-7-methylocta-2,7-diene-1,6-diol.

Molecular Properties

Compound Name3-(hydroxymethyl)-7-methylocta-2,7-diene-1,6-diol
PubChem CID72732359
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name3-(hydroxymethyl)-7-methylocta-2,7-diene-1,6-diol
SMILESC=C(C)C(O)CCC(=CCO)CO
InChIInChI=1S/C10H18O3/c1-8(2)10(13)4-3-9(7-12)5-6-11/h5,10-13H,1,3-4,6-7H2,2H3
InChIKeyRDOGOMPUCIUOGB-UHFFFAOYSA-N
XLogP0.61
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.61
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

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CID 6441135
2-Cyclohexen-1-ol, 3-methyl-
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4-Methyl-3-decen-5-ol
CID 163336
(1R,3E,5S,8Z)-9-(hydroxymethyl)-2,2,5-trimethylcycloundeca-3,8-dien-1-ol
CID 162672323
Boletinin C
CID 10426301
Boletinin D
CID 11416024
boletinin B
CID 11723673
cis-Piperitenol
CID 6429050
(E)-2-Nonene-1,4-diol
CID 14106146
1,4-Dihydroxy-2-nonene
CID 54541195
8-Hydroxy geraniol
CID 6430784
Guatterin A
CID 643652

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-7-methylocta-2,7-diene-1,6-diol?
The IUPAC name of 3-(hydroxymethyl)-7-methylocta-2,7-diene-1,6-diol (CID 72732359) is 3-(hydroxymethyl)-7-methylocta-2,7-diene-1,6-diol.
What is the SMILES notation for 3-(hydroxymethyl)-7-methylocta-2,7-diene-1,6-diol?
The canonical SMILES for 3-(hydroxymethyl)-7-methylocta-2,7-diene-1,6-diol is C=C(C)C(O)CCC(=CCO)CO.
What is the InChIKey of 3-(hydroxymethyl)-7-methylocta-2,7-diene-1,6-diol?
The InChIKey is RDOGOMPUCIUOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-8(2)10(13)4-3-9(7-12)5-6-11/h5,10-13H,1,3-4,6-7H2,2H3.
What are the key properties of 3-(hydroxymethyl)-7-methylocta-2,7-diene-1,6-diol?
3-(hydroxymethyl)-7-methylocta-2,7-diene-1,6-diol has a molecular weight of 186.25 g/mol, XLogP of 0.61, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-7-methylocta-2,7-diene-1,6-diol is sourced from PubChem (CID 72732359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).