(E,4R)-4-methyl-5-(phenylmethoxymethoxy)pent-2-en-1-ol

C14H20O3 — CID 11806633

IUPAC(E,4R)-4-methyl-5-(phenylmethoxymethoxy)pent-2-en-1-ol
SMILESC[C@H](/C=C/CO)COCOCc1ccccc1
InChIInChI=1S/C14H20O3/c1-13(6-5-9-15)10-16-12-17-11-14-7-3-2-4-8-14/h2-8,13,15H,9-12H2,1H3/b6-5+/t13-/m1/s1
InChIKeyIXRBVFKCIGHZGV-URWSZGRFSA-N
MW236.31 g/mol
LogP2.36
Rot. Bonds8

About (E,4R)-4-methyl-5-(phenylmethoxymethoxy)pent-2-en-1-ol

(E,4R)-4-methyl-5-(phenylmethoxymethoxy)pent-2-en-1-ol (PubChem CID 11806633) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is (E,4R)-4-methyl-5-(phenylmethoxymethoxy)pent-2-en-1-ol.

Molecular Properties

Compound Name(E,4R)-4-methyl-5-(phenylmethoxymethoxy)pent-2-en-1-ol
PubChem CID11806633
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name(E,4R)-4-methyl-5-(phenylmethoxymethoxy)pent-2-en-1-ol
SMILESC[C@H](/C=C/CO)COCOCc1ccccc1
InChIInChI=1S/C14H20O3/c1-13(6-5-9-15)10-16-12-17-11-14-7-3-2-4-8-14/h2-8,13,15H,9-12H2,1H3/b6-5+/t13-/m1/s1
InChIKeyIXRBVFKCIGHZGV-URWSZGRFSA-N
XLogP2.36
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z,4S)-4-methyl-5-phenylmethoxypent-2-en-1-ol
CID 13182140
(E,4R,5S)-4-methyl-6-phenylmethoxy-5-triethylsilyloxyhex-2-en-1-ol
CID 15396344
5-phenylmethoxypent-2-ene-1,4-diol
CID 85308041
[(E,2R)-5-bromo-2-methylpent-3-enoxy]methylbenzene
CID 135014115
(Z,1R,5R)-5-methyl-1-phenyl-6-phenylmethoxyhex-3-en-1-ol
CID 15043730
(E,4S,5R)-5-(methoxymethoxy)-4,6-bis(phenylmethoxy)hex-2-en-1-ol
CID 135036464
(E,4R)-4-phenylmethoxypent-2-en-1-ol
CID 121008180
dimethyl-[(E,4R)-4-methyl-5-phenylmethoxypent-2-enyl]-phenylsilane
CID 15316565
(E,4R,5S)-4-methyl-7-phenylmethoxyhept-2-ene-1,5-diol
CID 11770840
(4S)-4,6-bis(methoxymethoxy)-5,7-bis(phenylmethoxy)hept-2-en-1-ol
CID 90855884
[(2R)-4,4-dibromo-2-methylbut-3-enoxy]methylbenzene
CID 124579108
(2S,4R)-2,4-dimethyl-5-(phenylmethoxymethoxy)pentanal
CID 11139553

Frequently Asked Questions

What is the IUPAC name of (E,4R)-4-methyl-5-(phenylmethoxymethoxy)pent-2-en-1-ol?
The IUPAC name of (E,4R)-4-methyl-5-(phenylmethoxymethoxy)pent-2-en-1-ol (CID 11806633) is (E,4R)-4-methyl-5-(phenylmethoxymethoxy)pent-2-en-1-ol.
What is the SMILES notation for (E,4R)-4-methyl-5-(phenylmethoxymethoxy)pent-2-en-1-ol?
The canonical SMILES for (E,4R)-4-methyl-5-(phenylmethoxymethoxy)pent-2-en-1-ol is C[C@H](/C=C/CO)COCOCc1ccccc1.
What is the InChIKey of (E,4R)-4-methyl-5-(phenylmethoxymethoxy)pent-2-en-1-ol?
The InChIKey is IXRBVFKCIGHZGV-URWSZGRFSA-N. The full InChI is InChI=1S/C14H20O3/c1-13(6-5-9-15)10-16-12-17-11-14-7-3-2-4-8-14/h2-8,13,15H,9-12H2,1H3/b6-5+/t13-/m1/s1.
What are the key properties of (E,4R)-4-methyl-5-(phenylmethoxymethoxy)pent-2-en-1-ol?
(E,4R)-4-methyl-5-(phenylmethoxymethoxy)pent-2-en-1-ol has a molecular weight of 236.31 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4R)-4-methyl-5-(phenylmethoxymethoxy)pent-2-en-1-ol is sourced from PubChem (CID 11806633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).