5,5-dimethyl-2-[(4-methylphenyl)methyl]hexan-1-ol

C16H26O — CID 66060531

IUPAC5,5-dimethyl-2-[(4-methylphenyl)methyl]hexan-1-ol
SMILESCc1ccc(CC(CO)CCC(C)(C)C)cc1
InChIInChI=1S/C16H26O/c1-13-5-7-14(8-6-13)11-15(12-17)9-10-16(2,3)4/h5-8,15,17H,9-12H2,1-4H3
InChIKeyZNDDISKCOODISK-UHFFFAOYSA-N
MW234.38 g/mol
LogP3.97
Rot. Bonds5

About 5,5-dimethyl-2-[(4-methylphenyl)methyl]hexan-1-ol

5,5-dimethyl-2-[(4-methylphenyl)methyl]hexan-1-ol (PubChem CID 66060531) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 5,5-dimethyl-2-[(4-methylphenyl)methyl]hexan-1-ol.

Molecular Properties

Compound Name5,5-dimethyl-2-[(4-methylphenyl)methyl]hexan-1-ol
PubChem CID66060531
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name5,5-dimethyl-2-[(4-methylphenyl)methyl]hexan-1-ol
SMILESCc1ccc(CC(CO)CCC(C)(C)C)cc1
InChIInChI=1S/C16H26O/c1-13-5-7-14(8-6-13)11-15(12-17)9-10-16(2,3)4/h5-8,15,17H,9-12H2,1-4H3
InChIKeyZNDDISKCOODISK-UHFFFAOYSA-N
XLogP3.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(4-methylphenyl)methyl]undecan-1-ol
CID 66059453
(2S)-2-(aminomethyl)-3-(4-methylphenyl)propan-1-ol
CID 42328832
5,5-dimethyl-2-[(2-methylphenyl)methyl]hexan-1-ol
CID 66059935
2-[(3-fluorophenyl)methyl]-5,5-dimethylhexan-1-ol
CID 66059277
2-[(3-bromophenyl)methyl]-5,5-dimethylhexan-1-ol
CID 66060363
5,5-dimethyl-2-(4-methylphenyl)hexan-1-ol
CID 79436768
2-[2-[4-[2-(4-methylphenyl)ethyl]phenyl]ethyl]propane-1,3-diol
CID 130315848
(2S)-2-amino-3-(4-methylphenyl)propan-1-ol
CID 28804561
(2R)-2-methyl-3-(4-methylphenyl)propan-1-ol
CID 59708463
N-[2-(hydroxymethyl)-3-(4-methylphenyl)propyl]acetamide
CID 82350206
2-[(5-bromothiophen-2-yl)methyl]-3-(4-methylphenyl)propan-1-ol
CID 66060745
2-[(4-methylphenyl)methyl]-3-phenylmethoxypropan-1-ol
CID 102940890

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-[(4-methylphenyl)methyl]hexan-1-ol?
The IUPAC name of 5,5-dimethyl-2-[(4-methylphenyl)methyl]hexan-1-ol (CID 66060531) is 5,5-dimethyl-2-[(4-methylphenyl)methyl]hexan-1-ol.
What is the SMILES notation for 5,5-dimethyl-2-[(4-methylphenyl)methyl]hexan-1-ol?
The canonical SMILES for 5,5-dimethyl-2-[(4-methylphenyl)methyl]hexan-1-ol is Cc1ccc(CC(CO)CCC(C)(C)C)cc1.
What is the InChIKey of 5,5-dimethyl-2-[(4-methylphenyl)methyl]hexan-1-ol?
The InChIKey is ZNDDISKCOODISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1-13-5-7-14(8-6-13)11-15(12-17)9-10-16(2,3)4/h5-8,15,17H,9-12H2,1-4H3.
What are the key properties of 5,5-dimethyl-2-[(4-methylphenyl)methyl]hexan-1-ol?
5,5-dimethyl-2-[(4-methylphenyl)methyl]hexan-1-ol has a molecular weight of 234.38 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-[(4-methylphenyl)methyl]hexan-1-ol is sourced from PubChem (CID 66060531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).