2,2,4,4-tetramethyl-3-(1-methylcyclopent-2-en-1-yl)pentan-3-ol

C15H28O — CID 100939176

IUPAC2,2,4,4-tetramethyl-3-(1-methylcyclopent-2-en-1-yl)pentan-3-ol
SMILESCC(C)(C)C(O)(C(C)(C)C)C1(C)C=CCC1
InChIInChI=1S/C15H28O/c1-12(2,3)15(16,13(4,5)6)14(7)10-8-9-11-14/h8,10,16H,9,11H2,1-7H3
InChIKeyDEYJJORCGJBOAD-UHFFFAOYSA-N
MW224.39 g/mol
LogP4.17
Rot. Bonds1

About 2,2,4,4-tetramethyl-3-(1-methylcyclopent-2-en-1-yl)pentan-3-ol

2,2,4,4-tetramethyl-3-(1-methylcyclopent-2-en-1-yl)pentan-3-ol (PubChem CID 100939176) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 2,2,4,4-tetramethyl-3-(1-methylcyclopent-2-en-1-yl)pentan-3-ol.

Molecular Properties

Compound Name2,2,4,4-tetramethyl-3-(1-methylcyclopent-2-en-1-yl)pentan-3-ol
PubChem CID100939176
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name2,2,4,4-tetramethyl-3-(1-methylcyclopent-2-en-1-yl)pentan-3-ol
SMILESCC(C)(C)C(O)(C(C)(C)C)C1(C)C=CCC1
InChIInChI=1S/C15H28O/c1-12(2,3)15(16,13(4,5)6)14(7)10-8-9-11-14/h8,10,16H,9,11H2,1-7H3
InChIKeyDEYJJORCGJBOAD-UHFFFAOYSA-N
XLogP4.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.17
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-methylcyclopent-2-ene-1-carboxylate
CID 23127641
2-[(4aS)-4a-methyl-3,4,5,6-tetrahydro-2H-naphthalen-2-yl]propan-2-ol
CID 70887557
1,2,2-trimethylcyclohex-3-ene-1-carboxylic acid
CID 90472881
(2R)-2-methyl-2-[(1S)-1-methylcyclohex-2-en-1-yl]-3-phenylpropanoic acid
CID 135040355
1-(1-acetylcyclopent-2-en-1-yl)ethanone
CID 45085922
1-aminocyclopent-2-en-1-ol
CID 23056881
butan-2-one;3,3-dimethylcyclohexene;2,2-dimethylpropane;methane
CID 158843817
(4aS,8aR)-4a,8a-dimethyl-1,2,3,4,5,6-hexahydronaphthalene
CID 14339064
(1-tert-butylperoxycyclopent-2-en-1-yl)benzene
CID 102271820
(4aR,8aS)-8a-hydroperoxy-4a-methyl-1,2,3,4,5,6-hexahydronaphthalene
CID 134895807
1-(1-tert-butylsulfanylprop-2-enyl)cyclopent-2-en-1-ol
CID 12715918
2,2,2-trichloro-N-[[(1S)-1-methylcyclopent-2-en-1-yl]methyl]acetamide
CID 101149803

Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetramethyl-3-(1-methylcyclopent-2-en-1-yl)pentan-3-ol?
The IUPAC name of 2,2,4,4-tetramethyl-3-(1-methylcyclopent-2-en-1-yl)pentan-3-ol (CID 100939176) is 2,2,4,4-tetramethyl-3-(1-methylcyclopent-2-en-1-yl)pentan-3-ol.
What is the SMILES notation for 2,2,4,4-tetramethyl-3-(1-methylcyclopent-2-en-1-yl)pentan-3-ol?
The canonical SMILES for 2,2,4,4-tetramethyl-3-(1-methylcyclopent-2-en-1-yl)pentan-3-ol is CC(C)(C)C(O)(C(C)(C)C)C1(C)C=CCC1.
What is the InChIKey of 2,2,4,4-tetramethyl-3-(1-methylcyclopent-2-en-1-yl)pentan-3-ol?
The InChIKey is DEYJJORCGJBOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-12(2,3)15(16,13(4,5)6)14(7)10-8-9-11-14/h8,10,16H,9,11H2,1-7H3.
What are the key properties of 2,2,4,4-tetramethyl-3-(1-methylcyclopent-2-en-1-yl)pentan-3-ol?
2,2,4,4-tetramethyl-3-(1-methylcyclopent-2-en-1-yl)pentan-3-ol has a molecular weight of 224.39 g/mol, XLogP of 4.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetramethyl-3-(1-methylcyclopent-2-en-1-yl)pentan-3-ol is sourced from PubChem (CID 100939176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).