2-hydroxy-5-methylidene-2-prop-2-enyloct-7-enenitrile

C12H17NO — CID 88680376

IUPAC2-hydroxy-5-methylidene-2-prop-2-enyloct-7-enenitrile
SMILESC=CCC(=C)CCC(O)(C#N)CC=C
InChIInChI=1S/C12H17NO/c1-4-6-11(3)7-9-12(14,10-13)8-5-2/h4-5,14H,1-3,6-9H2
InChIKeyRASDTWGFJMEXKX-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.73
Rot. Bonds7

About 2-hydroxy-5-methylidene-2-prop-2-enyloct-7-enenitrile

2-hydroxy-5-methylidene-2-prop-2-enyloct-7-enenitrile (PubChem CID 88680376) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-hydroxy-5-methylidene-2-prop-2-enyloct-7-enenitrile.

Molecular Properties

Compound Name2-hydroxy-5-methylidene-2-prop-2-enyloct-7-enenitrile
PubChem CID88680376
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-hydroxy-5-methylidene-2-prop-2-enyloct-7-enenitrile
SMILESC=CCC(=C)CCC(O)(C#N)CC=C
InChIInChI=1S/C12H17NO/c1-4-6-11(3)7-9-12(14,10-13)8-5-2/h4-5,14H,1-3,6-9H2
InChIKeyRASDTWGFJMEXKX-UHFFFAOYSA-N
XLogP2.73
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanohydrins', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4R,7S)-4,7-dimethyldeca-1,9-diene-4,7-diol
CID 92533073
2-(2-methoxyethyl)-2-prop-2-enylpent-4-enenitrile
CID 174183391
4-cyano-4-hydroxyhexanoic acid
CID 175365239
2-hydroxy-2-methylhex-5-enenitrile
CID 22561336
2-ethyl-2,5,5-tris(prop-2-enyl)hexanedinitrile
CID 137470419
2,2-dimethylpent-4-enenitrile;ethane
CID 144998306
8-methyl-4-methylidenedeca-1,7-diene
CID 152634439
2-amino-2-methylpent-4-enenitrile
CID 88512279
carbonic acid;4-methylidenehepta-1,6-diene
CID 88505176
2,2-bis(prop-2-enyl)heptanenitrile
CID 87904800
4-ethyl-2-methyl-2-prop-2-enylhex-4-enenitrile
CID 57300447
2-[2-(2-methoxyethoxy)ethyl]-2-prop-2-enylpent-4-enenitrile
CID 174183378

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-methylidene-2-prop-2-enyloct-7-enenitrile?
The IUPAC name of 2-hydroxy-5-methylidene-2-prop-2-enyloct-7-enenitrile (CID 88680376) is 2-hydroxy-5-methylidene-2-prop-2-enyloct-7-enenitrile.
What is the SMILES notation for 2-hydroxy-5-methylidene-2-prop-2-enyloct-7-enenitrile?
The canonical SMILES for 2-hydroxy-5-methylidene-2-prop-2-enyloct-7-enenitrile is C=CCC(=C)CCC(O)(C#N)CC=C.
What is the InChIKey of 2-hydroxy-5-methylidene-2-prop-2-enyloct-7-enenitrile?
The InChIKey is RASDTWGFJMEXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-4-6-11(3)7-9-12(14,10-13)8-5-2/h4-5,14H,1-3,6-9H2.
What are the key properties of 2-hydroxy-5-methylidene-2-prop-2-enyloct-7-enenitrile?
2-hydroxy-5-methylidene-2-prop-2-enyloct-7-enenitrile has a molecular weight of 191.27 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-methylidene-2-prop-2-enyloct-7-enenitrile is sourced from PubChem (CID 88680376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).