2-methyl-4-methylidenehex-2-en-3-ol

C8H14O — CID 177162520

IUPAC2-methyl-4-methylidenehex-2-en-3-ol
SMILESC=C(CC)C(O)=C(C)C
InChIInChI=1S/C8H14O/c1-5-7(4)8(9)6(2)3/h9H,4-5H2,1-3H3
InChIKeyXMWDOQJSQQETDJ-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.80
Rot. Bonds2

About 2-methyl-4-methylidenehex-2-en-3-ol

2-methyl-4-methylidenehex-2-en-3-ol (PubChem CID 177162520) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 2-methyl-4-methylidenehex-2-en-3-ol.

Molecular Properties

Compound Name2-methyl-4-methylidenehex-2-en-3-ol
PubChem CID177162520
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name2-methyl-4-methylidenehex-2-en-3-ol
SMILESC=C(CC)C(O)=C(C)C
InChIInChI=1S/C8H14O/c1-5-7(4)8(9)6(2)3/h9H,4-5H2,1-3H3
InChIKeyXMWDOQJSQQETDJ-UHFFFAOYSA-N
XLogP2.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

carbonic acid;2-methylidenebutanoic acid;hydrofluoride
CID 87502083
(E)-3-methyl-4-methylidenehex-2-en-2-amine
CID 177319888
lithium;hydride;2-methylidenebutanoic acid
CID 174729708
methane;bis(2-methylbut-1-ene)
CID 160529780
3-methylidenepentane;hydrate
CID 162329688
2-methylidenebutanoic acid;2-methylprop-2-enamide
CID 88685460
2-methylidenebutanoate;2-methylprop-2-enoic acid
CID 22645756
furan-2,5-dione;2-methylidenebutanoic acid
CID 87835686
(2H)chlorane;2-methylidenebutanoic acid
CID 159149807
ethane;ethene;2-methylbut-1-ene;2-methyl-3-methylidenepent-1-ene;propane
CID 145442822
methyl (E)-3-hydroxy-2-(methylamino)-4-methylidenehex-2-enoate
CID 163944336
bis(2-methylprop-1-ene);propane
CID 159493997

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-methylidenehex-2-en-3-ol?
The IUPAC name of 2-methyl-4-methylidenehex-2-en-3-ol (CID 177162520) is 2-methyl-4-methylidenehex-2-en-3-ol.
What is the SMILES notation for 2-methyl-4-methylidenehex-2-en-3-ol?
The canonical SMILES for 2-methyl-4-methylidenehex-2-en-3-ol is C=C(CC)C(O)=C(C)C.
What is the InChIKey of 2-methyl-4-methylidenehex-2-en-3-ol?
The InChIKey is XMWDOQJSQQETDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-5-7(4)8(9)6(2)3/h9H,4-5H2,1-3H3.
What are the key properties of 2-methyl-4-methylidenehex-2-en-3-ol?
2-methyl-4-methylidenehex-2-en-3-ol has a molecular weight of 126.20 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-methylidenehex-2-en-3-ol is sourced from PubChem (CID 177162520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).