2-methyloct-1-ene-4,5-diol

C9H18O2 — CID 103454915

IUPAC2-methyloct-1-ene-4,5-diol
SMILESC=C(C)CC(O)C(O)CCC
InChIInChI=1S/C9H18O2/c1-4-5-8(10)9(11)6-7(2)3/h8-11H,2,4-6H2,1,3H3
InChIKeyFUEUJHVTNZEEMS-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.47
Rot. Bonds5

About 2-methyloct-1-ene-4,5-diol

2-methyloct-1-ene-4,5-diol (PubChem CID 103454915) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 2-methyloct-1-ene-4,5-diol.

Molecular Properties

Compound Name2-methyloct-1-ene-4,5-diol
PubChem CID103454915
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name2-methyloct-1-ene-4,5-diol
SMILESC=C(C)CC(O)C(O)CCC
InChIInChI=1S/C9H18O2/c1-4-5-8(10)9(11)6-7(2)3/h8-11H,2,4-6H2,1,3H3
InChIKeyFUEUJHVTNZEEMS-UHFFFAOYSA-N
XLogP1.47
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.47
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

5-methoxy-2-methyloct-1-en-4-ol
CID 116711758
octane-4,5-diol;hydrate
CID 141056272
ethene;4-ethyl-2-methylhept-1-ene
CID 142412124
decane-4,5,6,7-tetrol
CID 73238857
(3S,4S)-3-hydroperoxy-2-methylhept-1-en-4-ol
CID 101416470
hexane-2,3-diol
CID 159913798
3-methylhexane;2-methylprop-1-ene
CID 165405684
pentadecane-4,5-diol
CID 103454846
1,2-diaminohexane-1,3-diol
CID 91068082
4-ethyl-2,6-dimethylnon-1-ene
CID 90949298
3,6-dimethyl-4-propylhept-6-en-2-amine
CID 134183824
2,4-dimethylnon-1-ene
CID 55268908

Frequently Asked Questions

What is the IUPAC name of 2-methyloct-1-ene-4,5-diol?
The IUPAC name of 2-methyloct-1-ene-4,5-diol (CID 103454915) is 2-methyloct-1-ene-4,5-diol.
What is the SMILES notation for 2-methyloct-1-ene-4,5-diol?
The canonical SMILES for 2-methyloct-1-ene-4,5-diol is C=C(C)CC(O)C(O)CCC.
What is the InChIKey of 2-methyloct-1-ene-4,5-diol?
The InChIKey is FUEUJHVTNZEEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-4-5-8(10)9(11)6-7(2)3/h8-11H,2,4-6H2,1,3H3.
What are the key properties of 2-methyloct-1-ene-4,5-diol?
2-methyloct-1-ene-4,5-diol has a molecular weight of 158.24 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyloct-1-ene-4,5-diol is sourced from PubChem (CID 103454915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).