methane;2,2,3,5,5-pentamethylhexan-3-ol;3,4,4,5,5-pentamethylhexan-3-ol

C23H52O2 — CID 159506983

IUPACmethane;2,2,3,5,5-pentamethylhexan-3-ol;3,4,4,5,5-pentamethylhexan-3-ol
SMILESC.CC(C)(C)CC(C)(O)C(C)(C)C.CCC(C)(O)C(C)(C)C(C)(C)C
InChIInChI=1S/2C11H24O.CH4/c1-9(2,3)8-11(7,12)10(4,5)6;1-8-11(7,12)10(5,6)9(2,3)4;/h2*12H,8H2,1-7H3;1H4
InChIKeyMACRADAXRRUEMV-UHFFFAOYSA-N
MW360.67 g/mol
LogP7.08
Rot. Bonds3

About methane;2,2,3,5,5-pentamethylhexan-3-ol;3,4,4,5,5-pentamethylhexan-3-ol

methane;2,2,3,5,5-pentamethylhexan-3-ol;3,4,4,5,5-pentamethylhexan-3-ol (PubChem CID 159506983) has the molecular formula C23H52O2 and a molecular weight of 360.67 g/mol. Its IUPAC name is methane;2,2,3,5,5-pentamethylhexan-3-ol;3,4,4,5,5-pentamethylhexan-3-ol.

Molecular Properties

Compound Namemethane;2,2,3,5,5-pentamethylhexan-3-ol;3,4,4,5,5-pentamethylhexan-3-ol
PubChem CID159506983
Molecular FormulaC23H52O2
Molecular Weight360.67 g/mol
Exact Mass360.40
IUPAC Namemethane;2,2,3,5,5-pentamethylhexan-3-ol;3,4,4,5,5-pentamethylhexan-3-ol
SMILESC.CC(C)(C)CC(C)(O)C(C)(C)C.CCC(C)(O)C(C)(C)C(C)(C)C
InChIInChI=1S/2C11H24O.CH4/c1-9(2,3)8-11(7,12)10(4,5)6;1-8-11(7,12)10(5,6)9(2,3)4;/h2*12H,8H2,1-7H3;1H4
InChIKeyMACRADAXRRUEMV-UHFFFAOYSA-N
XLogP7.08
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.67
LogP ≤ 57.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-2,3-dimethylpentane-2,3-diol
CID 118219388
2,2,3,3,4,4,6,6,7,7-decamethylnonane
CID 123949494
pentakis(2,2-dimethylbutane);methane
CID 161368616
tetrakis(2,2-dimethylbutane);methane
CID 158609630
3-ethyl-4,4-dimethylpent-1-en-3-ol
CID 91529318
5-ethyl-2,2,4,4,5-pentamethylheptane
CID 57492867
2,2,4,4,6,6-hexamethylheptane-3,3-diol
CID 19375236
7,8,8,9,9-pentamethyldecane-3,7-diol
CID 174442476
1-bromo-1,1-difluoro-2-methylbutan-2-ol
CID 107139992
2-tert-butyl-2-ethyl-4,4-dimethylpentanoic acid
CID 123370825
1-(ethylamino)-2,3,3-trimethylbutan-2-ol
CID 80559205
bis(2,2-dimethylbutane);tungsten
CID 157126936

Frequently Asked Questions

What is the IUPAC name of methane;2,2,3,5,5-pentamethylhexan-3-ol;3,4,4,5,5-pentamethylhexan-3-ol?
The IUPAC name of methane;2,2,3,5,5-pentamethylhexan-3-ol;3,4,4,5,5-pentamethylhexan-3-ol (CID 159506983) is methane;2,2,3,5,5-pentamethylhexan-3-ol;3,4,4,5,5-pentamethylhexan-3-ol.
What is the SMILES notation for methane;2,2,3,5,5-pentamethylhexan-3-ol;3,4,4,5,5-pentamethylhexan-3-ol?
The canonical SMILES for methane;2,2,3,5,5-pentamethylhexan-3-ol;3,4,4,5,5-pentamethylhexan-3-ol is C.CC(C)(C)CC(C)(O)C(C)(C)C.CCC(C)(O)C(C)(C)C(C)(C)C.
What is the InChIKey of methane;2,2,3,5,5-pentamethylhexan-3-ol;3,4,4,5,5-pentamethylhexan-3-ol?
The InChIKey is MACRADAXRRUEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H24O.CH4/c1-9(2,3)8-11(7,12)10(4,5)6;1-8-11(7,12)10(5,6)9(2,3)4;/h2*12H,8H2,1-7H3;1H4.
What are the key properties of methane;2,2,3,5,5-pentamethylhexan-3-ol;3,4,4,5,5-pentamethylhexan-3-ol?
methane;2,2,3,5,5-pentamethylhexan-3-ol;3,4,4,5,5-pentamethylhexan-3-ol has a molecular weight of 360.67 g/mol, XLogP of 7.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2,2,3,5,5-pentamethylhexan-3-ol;3,4,4,5,5-pentamethylhexan-3-ol is sourced from PubChem (CID 159506983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).