(Z,4S)-4-methyl-5-phenylmethoxypent-2-en-1-ol

C13H18O2 — CID 13182140

IUPAC(Z,4S)-4-methyl-5-phenylmethoxypent-2-en-1-ol
SMILESC[C@@H](/C=C\CO)COCc1ccccc1
InChIInChI=1S/C13H18O2/c1-12(6-5-9-14)10-15-11-13-7-3-2-4-8-13/h2-8,12,14H,9-11H2,1H3/b6-5-/t12-/m0/s1
InChIKeySJFYRTKANCOGEK-FJOGCWAESA-N
MW206.28 g/mol
LogP2.39
Rot. Bonds6

About (Z,4S)-4-methyl-5-phenylmethoxypent-2-en-1-ol

(Z,4S)-4-methyl-5-phenylmethoxypent-2-en-1-ol (PubChem CID 13182140) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is (Z,4S)-4-methyl-5-phenylmethoxypent-2-en-1-ol.

Molecular Properties

Compound Name(Z,4S)-4-methyl-5-phenylmethoxypent-2-en-1-ol
PubChem CID13182140
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name(Z,4S)-4-methyl-5-phenylmethoxypent-2-en-1-ol
SMILESC[C@@H](/C=C\CO)COCc1ccccc1
InChIInChI=1S/C13H18O2/c1-12(6-5-9-14)10-15-11-13-7-3-2-4-8-13/h2-8,12,14H,9-11H2,1H3/b6-5-/t12-/m0/s1
InChIKeySJFYRTKANCOGEK-FJOGCWAESA-N
XLogP2.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.39
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-methyl-5-(phenylmethoxymethoxy)pent-2-en-1-ol
CID 11806633
5-phenylmethoxypent-2-ene-1,4-diol
CID 85308041
[(E,2R)-5-bromo-2-methylpent-3-enoxy]methylbenzene
CID 135014115
(E,4R,5S)-4-methyl-6-phenylmethoxy-5-triethylsilyloxyhex-2-en-1-ol
CID 15396344
(Z,1R,5R)-5-methyl-1-phenyl-6-phenylmethoxyhex-3-en-1-ol
CID 15043730
(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
(E,4S,5R)-5-(methoxymethoxy)-4,6-bis(phenylmethoxy)hex-2-en-1-ol
CID 135036464
[(2R)-4,4-dibromo-2-methylbut-3-enoxy]methylbenzene
CID 124579108
(E,5S)-5-methoxy-6-phenylmethoxyhex-2-en-1-ol
CID 135076282
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108

Frequently Asked Questions

What is the IUPAC name of (Z,4S)-4-methyl-5-phenylmethoxypent-2-en-1-ol?
The IUPAC name of (Z,4S)-4-methyl-5-phenylmethoxypent-2-en-1-ol (CID 13182140) is (Z,4S)-4-methyl-5-phenylmethoxypent-2-en-1-ol.
What is the SMILES notation for (Z,4S)-4-methyl-5-phenylmethoxypent-2-en-1-ol?
The canonical SMILES for (Z,4S)-4-methyl-5-phenylmethoxypent-2-en-1-ol is C[C@@H](/C=C\CO)COCc1ccccc1.
What is the InChIKey of (Z,4S)-4-methyl-5-phenylmethoxypent-2-en-1-ol?
The InChIKey is SJFYRTKANCOGEK-FJOGCWAESA-N. The full InChI is InChI=1S/C13H18O2/c1-12(6-5-9-14)10-15-11-13-7-3-2-4-8-13/h2-8,12,14H,9-11H2,1H3/b6-5-/t12-/m0/s1.
What are the key properties of (Z,4S)-4-methyl-5-phenylmethoxypent-2-en-1-ol?
(Z,4S)-4-methyl-5-phenylmethoxypent-2-en-1-ol has a molecular weight of 206.28 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4S)-4-methyl-5-phenylmethoxypent-2-en-1-ol is sourced from PubChem (CID 13182140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).