2-methylnon-1-ene-3,7-diol

C10H20O2 — CID 140997811

IUPAC2-methylnon-1-ene-3,7-diol
SMILESC=C(C)C(O)CCCC(O)CC
InChIInChI=1S/C10H20O2/c1-4-9(11)6-5-7-10(12)8(2)3/h9-12H,2,4-7H2,1,3H3
InChIKeyBKRATBPGXGJMLS-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.86
Rot. Bonds6

About 2-methylnon-1-ene-3,7-diol

2-methylnon-1-ene-3,7-diol (PubChem CID 140997811) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-methylnon-1-ene-3,7-diol.

Molecular Properties

Compound Name2-methylnon-1-ene-3,7-diol
PubChem CID140997811
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name2-methylnon-1-ene-3,7-diol
SMILESC=C(C)C(O)CCCC(O)CC
InChIInChI=1S/C10H20O2/c1-4-9(11)6-5-7-10(12)8(2)3/h9-12H,2,4-7H2,1,3H3
InChIKeyBKRATBPGXGJMLS-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
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

nonane-3,7-diol
CID 22141483
7-methylnonan-3-ol
CID 64515833
decane-3,4,8-triol
CID 57273849
6-methoxy-2-methylhex-1-en-3-ol
CID 105110564
non-1-ene-3,7-diol
CID 22245625
9-sulfanylnonan-3-ol
CID 91250076
CID 89415965
CID 89415965
5-hydroxy-6-methylhept-6-enoic acid
CID 22417308
icosan-3-ol
CID 14940768
(5R)-heptane-1,5-diol
CID 170849468
2,6-dimethylhept-1-en-3-ol
CID 13208265
ethane;heptan-3-ol;yttrium
CID 178141983

Frequently Asked Questions

What is the IUPAC name of 2-methylnon-1-ene-3,7-diol?
The IUPAC name of 2-methylnon-1-ene-3,7-diol (CID 140997811) is 2-methylnon-1-ene-3,7-diol.
What is the SMILES notation for 2-methylnon-1-ene-3,7-diol?
The canonical SMILES for 2-methylnon-1-ene-3,7-diol is C=C(C)C(O)CCCC(O)CC.
What is the InChIKey of 2-methylnon-1-ene-3,7-diol?
The InChIKey is BKRATBPGXGJMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-4-9(11)6-5-7-10(12)8(2)3/h9-12H,2,4-7H2,1,3H3.
What are the key properties of 2-methylnon-1-ene-3,7-diol?
2-methylnon-1-ene-3,7-diol has a molecular weight of 172.27 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylnon-1-ene-3,7-diol is sourced from PubChem (CID 140997811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).