4-(2,2,5,5-tetramethylhexan-3-yl)cyclohepta-2,4-dien-1-ol

C17H30O — CID 123239689

IUPAC4-(2,2,5,5-tetramethylhexan-3-yl)cyclohepta-2,4-dien-1-ol
SMILESCC(C)(C)CC(C1=CCCC(O)C=C1)C(C)(C)C
InChIInChI=1S/C17H30O/c1-16(2,3)12-15(17(4,5)6)13-8-7-9-14(18)11-10-13/h8,10-11,14-15,18H,7,9,12H2,1-6H3
InChIKeyJQHOCULALHLIEZ-UHFFFAOYSA-N
MW250.43 g/mol
LogP4.72
Rot. Bonds2

About 4-(2,2,5,5-tetramethylhexan-3-yl)cyclohepta-2,4-dien-1-ol

4-(2,2,5,5-tetramethylhexan-3-yl)cyclohepta-2,4-dien-1-ol (PubChem CID 123239689) has the molecular formula C17H30O and a molecular weight of 250.43 g/mol. Its IUPAC name is 4-(2,2,5,5-tetramethylhexan-3-yl)cyclohepta-2,4-dien-1-ol.

Molecular Properties

Compound Name4-(2,2,5,5-tetramethylhexan-3-yl)cyclohepta-2,4-dien-1-ol
PubChem CID123239689
Molecular FormulaC17H30O
Molecular Weight250.43 g/mol
Exact Mass250.23
IUPAC Name4-(2,2,5,5-tetramethylhexan-3-yl)cyclohepta-2,4-dien-1-ol
SMILESCC(C)(C)CC(C1=CCCC(O)C=C1)C(C)(C)C
InChIInChI=1S/C17H30O/c1-16(2,3)12-15(17(4,5)6)13-8-7-9-14(18)11-10-13/h8,10-11,14-15,18H,7,9,12H2,1-6H3
InChIKeyJQHOCULALHLIEZ-UHFFFAOYSA-N
XLogP4.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(2,2,5,5-tetramethylhexan-3-yl)cyclohepta-2,4-dien-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2,2,5,5-tetramethylhexan-3-yl)cyclohexa-2,4-dien-1-ol
CID 123299528
methyl 3-(2,2,5,5-tetramethylhexan-3-yl)cyclohexa-1,3-diene-1-carboxylate
CID 123717519
2-methylbutan-2-yl 1-methyl-4-(2,2,5,5-tetramethylhexan-3-yl)cyclohexa-2,4-diene-1-carboxylate
CID 123567739
ethane;4-propoxycyclohepta-2,4-dien-1-ol
CID 143043452
2,2-dimethyl-1-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]propan-1-ol
CID 130269359
[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]phosphonic acid
CID 71033304
2-cyclopropyl-6-methyl-5-(2,5,5-trimethylhexan-3-yl)cyclohexa-1,3-diene
CID 123385181
7-bromo-7-methyl-2-(2,2,5,5-tetramethylhexan-3-yl)cyclohepta-1,3,5-triene
CID 166902299
1,3-ditert-butyl-5-(2,2,5,5-tetramethylhexan-3-yl)benzene;methane
CID 144560114
1-(1-cyclohexyloxy-2-methylpropoxy)-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
CID 123324499
4-methoxy-1-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]cyclohexan-1-ol
CID 163986813
1-prop-1-en-2-yl-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
CID 90871361

Frequently Asked Questions

What is the IUPAC name of 4-(2,2,5,5-tetramethylhexan-3-yl)cyclohepta-2,4-dien-1-ol?
The IUPAC name of 4-(2,2,5,5-tetramethylhexan-3-yl)cyclohepta-2,4-dien-1-ol (CID 123239689) is 4-(2,2,5,5-tetramethylhexan-3-yl)cyclohepta-2,4-dien-1-ol.
What is the SMILES notation for 4-(2,2,5,5-tetramethylhexan-3-yl)cyclohepta-2,4-dien-1-ol?
The canonical SMILES for 4-(2,2,5,5-tetramethylhexan-3-yl)cyclohepta-2,4-dien-1-ol is CC(C)(C)CC(C1=CCCC(O)C=C1)C(C)(C)C.
What is the InChIKey of 4-(2,2,5,5-tetramethylhexan-3-yl)cyclohepta-2,4-dien-1-ol?
The InChIKey is JQHOCULALHLIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O/c1-16(2,3)12-15(17(4,5)6)13-8-7-9-14(18)11-10-13/h8,10-11,14-15,18H,7,9,12H2,1-6H3.
What are the key properties of 4-(2,2,5,5-tetramethylhexan-3-yl)cyclohepta-2,4-dien-1-ol?
4-(2,2,5,5-tetramethylhexan-3-yl)cyclohepta-2,4-dien-1-ol has a molecular weight of 250.43 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,5,5-tetramethylhexan-3-yl)cyclohepta-2,4-dien-1-ol is sourced from PubChem (CID 123239689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).