5,5-dimethyl-1-phenoxyhexan-1-ol

C14H22O2 — CID 67934695

IUPAC5,5-dimethyl-1-phenoxyhexan-1-ol
SMILESCC(C)(C)CCCC(O)Oc1ccccc1
InChIInChI=1S/C14H22O2/c1-14(2,3)11-7-10-13(15)16-12-8-5-4-6-9-12/h4-6,8-9,13,15H,7,10-11H2,1-3H3
InChIKeyPSAUQYGETKYJTJ-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.60
Rot. Bonds5

About 5,5-dimethyl-1-phenoxyhexan-1-ol

5,5-dimethyl-1-phenoxyhexan-1-ol (PubChem CID 67934695) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 5,5-dimethyl-1-phenoxyhexan-1-ol.

Molecular Properties

Compound Name5,5-dimethyl-1-phenoxyhexan-1-ol
PubChem CID67934695
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name5,5-dimethyl-1-phenoxyhexan-1-ol
SMILESCC(C)(C)CCCC(O)Oc1ccccc1
InChIInChI=1S/C14H22O2/c1-14(2,3)11-7-10-13(15)16-12-8-5-4-6-9-12/h4-6,8-9,13,15H,7,10-11H2,1-3H3
InChIKeyPSAUQYGETKYJTJ-UHFFFAOYSA-N
XLogP3.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-phenoxyhexadecan-1-ol
CID 140512988
3-chloro-1-phenoxypropan-1-ol
CID 154138508
4,4-dimethylpentoxybenzene;fluoromethane
CID 158387745
1-phenoxy-2-phenylethanol
CID 54118978
phenyl 6,6-dimethylheptanoate
CID 67351142
1-phenoxyethanol
CID 66611531
2-(4-methylphenyl)-1-phenoxyethanol
CID 57226645
3-[4-(1-hydroxyoctoxy)phenyl]-1-phenylprop-2-en-1-one
CID 151136229
1-phenoxyethanol;trihydrate
CID 175915128
2-(3,3-dimethylbutoxy)-1-phenylpropan-1-ol
CID 66225387
1-phenoxypropane-1,2-diol
CID 22140567
phenyl 4,4-dimethylpentanoate
CID 58459416

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1-phenoxyhexan-1-ol?
The IUPAC name of 5,5-dimethyl-1-phenoxyhexan-1-ol (CID 67934695) is 5,5-dimethyl-1-phenoxyhexan-1-ol.
What is the SMILES notation for 5,5-dimethyl-1-phenoxyhexan-1-ol?
The canonical SMILES for 5,5-dimethyl-1-phenoxyhexan-1-ol is CC(C)(C)CCCC(O)Oc1ccccc1.
What is the InChIKey of 5,5-dimethyl-1-phenoxyhexan-1-ol?
The InChIKey is PSAUQYGETKYJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-14(2,3)11-7-10-13(15)16-12-8-5-4-6-9-12/h4-6,8-9,13,15H,7,10-11H2,1-3H3.
What are the key properties of 5,5-dimethyl-1-phenoxyhexan-1-ol?
5,5-dimethyl-1-phenoxyhexan-1-ol has a molecular weight of 222.33 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1-phenoxyhexan-1-ol is sourced from PubChem (CID 67934695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).