3-methylidenenonane-1,5-diol

C10H20O2 — CID 134857911

IUPAC3-methylidenenonane-1,5-diol
SMILESC=C(CCO)CC(O)CCCC
InChIInChI=1S/C10H20O2/c1-3-4-5-10(12)8-9(2)6-7-11/h10-12H,2-8H2,1H3
InChIKeyQGRKHQDQGDWEHG-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.87
Rot. Bonds7

About 3-methylidenenonane-1,5-diol

3-methylidenenonane-1,5-diol (PubChem CID 134857911) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 3-methylidenenonane-1,5-diol.

Molecular Properties

Compound Name3-methylidenenonane-1,5-diol
PubChem CID134857911
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name3-methylidenenonane-1,5-diol
SMILESC=C(CCO)CC(O)CCCC
InChIInChI=1S/C10H20O2/c1-3-4-5-10(12)8-9(2)6-7-11/h10-12H,2-8H2,1H3
InChIKeyQGRKHQDQGDWEHG-UHFFFAOYSA-N
XLogP1.87
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.87
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

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2-Methylundec-2-en-5-ol
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2-Methyl-1-nonen-3-ol
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2-Methyldec-1-en-4-ol
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2-Ethylnon-1-en-3-ol
CID 558893
7-Octene-1,5-diol
CID 10942564
4-Methylidenedecan-3-ol
CID 11506530
1,2-Heptanediol, 3-methylene-
CID 12022117
4-Methylideneoctane-1,3-diol
CID 12022132
7-Methyl-7-octen-1-ol
CID 12306888
4-Methylideneheptane-2,6-diol
CID 13739297
2-Methyl-1-decen-3-ol
CID 14197812

Frequently Asked Questions

What is the IUPAC name of 3-methylidenenonane-1,5-diol?
The IUPAC name of 3-methylidenenonane-1,5-diol (CID 134857911) is 3-methylidenenonane-1,5-diol.
What is the SMILES notation for 3-methylidenenonane-1,5-diol?
The canonical SMILES for 3-methylidenenonane-1,5-diol is C=C(CCO)CC(O)CCCC.
What is the InChIKey of 3-methylidenenonane-1,5-diol?
The InChIKey is QGRKHQDQGDWEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-3-4-5-10(12)8-9(2)6-7-11/h10-12H,2-8H2,1H3.
What are the key properties of 3-methylidenenonane-1,5-diol?
3-methylidenenonane-1,5-diol has a molecular weight of 172.27 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidenenonane-1,5-diol is sourced from PubChem (CID 134857911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).