(Z)-6-(phenylmethoxymethoxy)hex-3-en-1-ol

C14H20O3 — CID 163205191

IUPAC(Z)-6-(phenylmethoxymethoxy)hex-3-en-1-ol
SMILESOCC/C=C\CCOCOCc1ccccc1
InChIInChI=1S/C14H20O3/c15-10-6-1-2-7-11-16-13-17-12-14-8-4-3-5-9-14/h1-5,8-9,15H,6-7,10-13H2/b2-1-
InChIKeyDSULQBIBWGNBSU-UPHRSURJSA-N
MW236.31 g/mol
LogP2.51
Rot. Bonds9

About (Z)-6-(phenylmethoxymethoxy)hex-3-en-1-ol

(Z)-6-(phenylmethoxymethoxy)hex-3-en-1-ol (PubChem CID 163205191) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is (Z)-6-(phenylmethoxymethoxy)hex-3-en-1-ol.

Molecular Properties

Compound Name(Z)-6-(phenylmethoxymethoxy)hex-3-en-1-ol
PubChem CID163205191
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name(Z)-6-(phenylmethoxymethoxy)hex-3-en-1-ol
SMILESOCC/C=C\CCOCOCc1ccccc1
InChIInChI=1S/C14H20O3/c15-10-6-1-2-7-11-16-13-17-12-14-8-4-3-5-9-14/h1-5,8-9,15H,6-7,10-13H2/b2-1-
InChIKeyDSULQBIBWGNBSU-UPHRSURJSA-N
XLogP2.51
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.51
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

[(E)-5-phenylmethoxypent-2-enoxy]methylbenzene
CID 10333986
[(Z)-pent-3-enoxy]methylbenzene
CID 13428364
[(E)-5-phenylmethoxypent-2-enyl] 2-oxobutanoate
CID 23649615
20-phenylmethoxyicos-10-enoxymethylbenzene
CID 54404919
trimethyl-[2-(phenylmethoxymethoxy)ethyl]silane
CID 15148810
(3S,4E,6E)-9-(methoxymethoxy)-3-phenylmethoxynona-4,6-dien-1-ol
CID 11232033
(E,4R)-4-methyl-5-(phenylmethoxymethoxy)pent-2-en-1-ol
CID 11806633
(E)-6-phenylmethoxy-N,N-di(propan-2-yl)hex-3-enamide
CID 134838858
(1S)-1-deuterio-2-phenylmethoxyethanol
CID 136712283
2-(2-phenylmethoxyethoxy)ethoxymethanol
CID 57257914
[(E)-4-(benzenesulfonyl)but-3-enoxy]methylbenzene
CID 10086281
4-(2-phenylmethoxyphenyl)but-3-en-1-ol
CID 54307612

Frequently Asked Questions

What is the IUPAC name of (Z)-6-(phenylmethoxymethoxy)hex-3-en-1-ol?
The IUPAC name of (Z)-6-(phenylmethoxymethoxy)hex-3-en-1-ol (CID 163205191) is (Z)-6-(phenylmethoxymethoxy)hex-3-en-1-ol.
What is the SMILES notation for (Z)-6-(phenylmethoxymethoxy)hex-3-en-1-ol?
The canonical SMILES for (Z)-6-(phenylmethoxymethoxy)hex-3-en-1-ol is OCC/C=C\CCOCOCc1ccccc1.
What is the InChIKey of (Z)-6-(phenylmethoxymethoxy)hex-3-en-1-ol?
The InChIKey is DSULQBIBWGNBSU-UPHRSURJSA-N. The full InChI is InChI=1S/C14H20O3/c15-10-6-1-2-7-11-16-13-17-12-14-8-4-3-5-9-14/h1-5,8-9,15H,6-7,10-13H2/b2-1-.
What are the key properties of (Z)-6-(phenylmethoxymethoxy)hex-3-en-1-ol?
(Z)-6-(phenylmethoxymethoxy)hex-3-en-1-ol has a molecular weight of 236.31 g/mol, XLogP of 2.51, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-(phenylmethoxymethoxy)hex-3-en-1-ol is sourced from PubChem (CID 163205191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).