(E)-5,5-dimethyl-4-phenylmethoxyhex-2-en-1-ol

C15H22O2 — CID 139252353

IUPAC(E)-5,5-dimethyl-4-phenylmethoxyhex-2-en-1-ol
SMILESCC(C)(C)C(/C=C/CO)OCc1ccccc1
InChIInChI=1S/C15H22O2/c1-15(2,3)14(10-7-11-16)17-12-13-8-5-4-6-9-13/h4-10,14,16H,11-12H2,1-3H3/b10-7+
InChIKeyUBSHDYDFIAZLLL-JXMROGBWSA-N
MW234.34 g/mol
LogP3.17
Rot. Bonds5

About (E)-5,5-dimethyl-4-phenylmethoxyhex-2-en-1-ol

(E)-5,5-dimethyl-4-phenylmethoxyhex-2-en-1-ol (PubChem CID 139252353) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (E)-5,5-dimethyl-4-phenylmethoxyhex-2-en-1-ol.

Molecular Properties

Compound Name(E)-5,5-dimethyl-4-phenylmethoxyhex-2-en-1-ol
PubChem CID139252353
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(E)-5,5-dimethyl-4-phenylmethoxyhex-2-en-1-ol
SMILESCC(C)(C)C(/C=C/CO)OCc1ccccc1
InChIInChI=1S/C15H22O2/c1-15(2,3)14(10-7-11-16)17-12-13-8-5-4-6-9-13/h4-10,14,16H,11-12H2,1-3H3/b10-7+
InChIKeyUBSHDYDFIAZLLL-JXMROGBWSA-N
XLogP3.17
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E,4R)-4-phenylmethoxypent-2-en-1-ol
CID 121008180
(2E,6E)-4,5-bis(phenylmethoxy)octa-2,6-diene-1,8-diol
CID 6393557
(Z,4S)-4-methyl-5-phenylmethoxypent-2-en-1-ol
CID 13182140
(E,4R,5S)-4-methyl-7-phenylmethoxyhept-2-ene-1,5-diol
CID 11770840
(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-bis(phenylmethoxy)hex-2-en-1-ol
CID 102359396
5-phenylmethoxypent-2-ene-1,4-diol
CID 85308041
[(2S)-3,3-dimethylbutan-2-yl]oxymethylbenzene;ethane
CID 143788890
(E,4R)-4-methyl-5-(phenylmethoxymethoxy)pent-2-en-1-ol
CID 11806633
(E,4S,5R)-5-(methoxymethoxy)-4,6-bis(phenylmethoxy)hex-2-en-1-ol
CID 135036464
[(2R)-3-methylbutan-2-yl]oxymethylbenzene
CID 59976472
(4S)-4,6-bis(methoxymethoxy)-5,7-bis(phenylmethoxy)hept-2-en-1-ol
CID 90855884
[(E)-1-phenylmethoxybut-2-enoxy]methylbenzene
CID 14220581

Frequently Asked Questions

What is the IUPAC name of (E)-5,5-dimethyl-4-phenylmethoxyhex-2-en-1-ol?
The IUPAC name of (E)-5,5-dimethyl-4-phenylmethoxyhex-2-en-1-ol (CID 139252353) is (E)-5,5-dimethyl-4-phenylmethoxyhex-2-en-1-ol.
What is the SMILES notation for (E)-5,5-dimethyl-4-phenylmethoxyhex-2-en-1-ol?
The canonical SMILES for (E)-5,5-dimethyl-4-phenylmethoxyhex-2-en-1-ol is CC(C)(C)C(/C=C/CO)OCc1ccccc1.
What is the InChIKey of (E)-5,5-dimethyl-4-phenylmethoxyhex-2-en-1-ol?
The InChIKey is UBSHDYDFIAZLLL-JXMROGBWSA-N. The full InChI is InChI=1S/C15H22O2/c1-15(2,3)14(10-7-11-16)17-12-13-8-5-4-6-9-13/h4-10,14,16H,11-12H2,1-3H3/b10-7+.
What are the key properties of (E)-5,5-dimethyl-4-phenylmethoxyhex-2-en-1-ol?
(E)-5,5-dimethyl-4-phenylmethoxyhex-2-en-1-ol has a molecular weight of 234.34 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5,5-dimethyl-4-phenylmethoxyhex-2-en-1-ol is sourced from PubChem (CID 139252353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).