4-methylnon-1-ene-2,3-diol

C10H20O2 — CID 173461332

IUPAC4-methylnon-1-ene-2,3-diol
SMILESC=C(O)C(O)C(C)CCCCC
InChIInChI=1S/C10H20O2/c1-4-5-6-7-8(2)10(12)9(3)11/h8,10-12H,3-7H2,1-2H3
InChIKeyRPPJWBNCMGYVLK-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.64
Rot. Bonds6

About 4-methylnon-1-ene-2,3-diol

4-methylnon-1-ene-2,3-diol (PubChem CID 173461332) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 4-methylnon-1-ene-2,3-diol.

Molecular Properties

Compound Name4-methylnon-1-ene-2,3-diol
PubChem CID173461332
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name4-methylnon-1-ene-2,3-diol
SMILESC=C(O)C(O)C(C)CCCCC
InChIInChI=1S/C10H20O2/c1-4-5-6-7-8(2)10(12)9(3)11/h8,10-12H,3-7H2,1-2H3
InChIKeyRPPJWBNCMGYVLK-UHFFFAOYSA-N
XLogP2.64
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-hydroxy-3-methylundecanoic acid
CID 175805023
2-chloro-4-methyloct-1-en-3-ol
CID 54546510
(2R,3R)-3-methylpentadecan-2-ol
CID 94864867
8,9-dimethylhexacosane
CID 160651612
16,17-dimethyltritriacontane
CID 91506561
(10S,11S)-10,11-dimethylicosane
CID 14870619
11,12-dimethyloctacosane
CID 23345853
11,12-dimethyltricosane
CID 173430605
8-methyltetradecan-7-ol
CID 88908615
7-methylhexadecan-8-ol
CID 122652609
2,3,4-trimethyltetradec-1-ene
CID 123582556
9,10-dimethyl-5-methylidenepentadecane
CID 142544689

Frequently Asked Questions

What is the IUPAC name of 4-methylnon-1-ene-2,3-diol?
The IUPAC name of 4-methylnon-1-ene-2,3-diol (CID 173461332) is 4-methylnon-1-ene-2,3-diol.
What is the SMILES notation for 4-methylnon-1-ene-2,3-diol?
The canonical SMILES for 4-methylnon-1-ene-2,3-diol is C=C(O)C(O)C(C)CCCCC.
What is the InChIKey of 4-methylnon-1-ene-2,3-diol?
The InChIKey is RPPJWBNCMGYVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-4-5-6-7-8(2)10(12)9(3)11/h8,10-12H,3-7H2,1-2H3.
What are the key properties of 4-methylnon-1-ene-2,3-diol?
4-methylnon-1-ene-2,3-diol has a molecular weight of 172.27 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylnon-1-ene-2,3-diol is sourced from PubChem (CID 173461332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).