2,2,3,5,5-pentamethyl-4-methylidenehexan-3-ol

C12H24O — CID 121007069

IUPAC2,2,3,5,5-pentamethyl-4-methylidenehexan-3-ol
SMILESC=C(C(C)(C)C)C(C)(O)C(C)(C)C
InChIInChI=1S/C12H24O/c1-9(10(2,3)4)12(8,13)11(5,6)7/h13H,1H2,2-8H3
InChIKeyJHJLVOORPKLLCO-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.39
Rot. Bonds1

About 2,2,3,5,5-pentamethyl-4-methylidenehexan-3-ol

2,2,3,5,5-pentamethyl-4-methylidenehexan-3-ol (PubChem CID 121007069) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 2,2,3,5,5-pentamethyl-4-methylidenehexan-3-ol.

Molecular Properties

Compound Name2,2,3,5,5-pentamethyl-4-methylidenehexan-3-ol
PubChem CID121007069
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name2,2,3,5,5-pentamethyl-4-methylidenehexan-3-ol
SMILESC=C(C(C)(C)C)C(C)(O)C(C)(C)C
InChIInChI=1S/C12H24O/c1-9(10(2,3)4)12(8,13)11(5,6)7/h13H,1H2,2-8H3
InChIKeyJHJLVOORPKLLCO-UHFFFAOYSA-N
XLogP3.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1,1-trifluoro-2-methyl-3-(trifluoromethyl)but-3-en-2-ol
CID 162534784
bis((3S,5R)-2,3,4,4,5,6-hexamethylhepta-1,6-diene-3,5-diol);(3R,5R)-2,3,4,4,5,6-hexamethylhepta-1,6-diene-3,5-diol;(3S,5S)-2,3,4,4,5,6-hexamethylhepta-1,6-diene-3,5-diol
CID 159752258
3,3-dimethylbut-1-en-2-amine
CID 15393104
3,3-dimethylbut-1-en-2-ylsilane
CID 173032105
CID 173290538
CID 173290538
3-fluoro-2-methylbut-3-en-2-ol
CID 119096236
bis(2,3,3-trimethylbutan-2-ol);hydrate
CID 71347639
2,2,4,4-tetramethylpentane-3,3-diol
CID 15388293
(3R,4E)-4-hydroxyimino-2,2,3-trimethylpentan-3-ol
CID 98524716
N-(3,3-dimethylbut-1-en-2-yl)-N,2,2,3,3-pentamethylbutan-1-amine
CID 166734510
(4R)-4-(3,3-dimethylbut-1-en-2-yl)-4,7-dihydroxy-7-methyloctan-2-one
CID 163886257
3,3,4,4-tetramethylpent-1-en-2-ol
CID 89381848

Frequently Asked Questions

What is the IUPAC name of 2,2,3,5,5-pentamethyl-4-methylidenehexan-3-ol?
The IUPAC name of 2,2,3,5,5-pentamethyl-4-methylidenehexan-3-ol (CID 121007069) is 2,2,3,5,5-pentamethyl-4-methylidenehexan-3-ol.
What is the SMILES notation for 2,2,3,5,5-pentamethyl-4-methylidenehexan-3-ol?
The canonical SMILES for 2,2,3,5,5-pentamethyl-4-methylidenehexan-3-ol is C=C(C(C)(C)C)C(C)(O)C(C)(C)C.
What is the InChIKey of 2,2,3,5,5-pentamethyl-4-methylidenehexan-3-ol?
The InChIKey is JHJLVOORPKLLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-9(10(2,3)4)12(8,13)11(5,6)7/h13H,1H2,2-8H3.
What are the key properties of 2,2,3,5,5-pentamethyl-4-methylidenehexan-3-ol?
2,2,3,5,5-pentamethyl-4-methylidenehexan-3-ol has a molecular weight of 184.32 g/mol, XLogP of 3.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,5,5-pentamethyl-4-methylidenehexan-3-ol is sourced from PubChem (CID 121007069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).