(1R,2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-phenylmethoxypent-4-en-2-ol

C17H24O4 — CID 134906102

IUPAC(1R,2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-phenylmethoxypent-4-en-2-ol
SMILESC=CC[C@H](O)[C@@H](OCc1ccccc1)[C@@H]1COC(C)(C)O1
InChIInChI=1S/C17H24O4/c1-4-8-14(18)16(15-12-20-17(2,3)21-15)19-11-13-9-6-5-7-10-13/h4-7,9-10,14-16,18H,1,8,11-12H2,2-3H3/t14-,15-,16+/m0/s1
InChIKeyMEENXIBHFBABEN-HRCADAONSA-N
MW292.37 g/mol
LogP2.66
Rot. Bonds7

About (1R,2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-phenylmethoxypent-4-en-2-ol

(1R,2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-phenylmethoxypent-4-en-2-ol (PubChem CID 134906102) has the molecular formula C17H24O4 and a molecular weight of 292.37 g/mol. Its IUPAC name is (1R,2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-phenylmethoxypent-4-en-2-ol.

Molecular Properties

Compound Name(1R,2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-phenylmethoxypent-4-en-2-ol
PubChem CID134906102
Molecular FormulaC17H24O4
Molecular Weight292.37 g/mol
Exact Mass292.17
IUPAC Name(1R,2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-phenylmethoxypent-4-en-2-ol
SMILESC=CC[C@H](O)[C@@H](OCc1ccccc1)[C@@H]1COC(C)(C)O1
InChIInChI=1S/C17H24O4/c1-4-8-14(18)16(15-12-20-17(2,3)21-15)19-11-13-9-6-5-7-10-13/h4-7,9-10,14-16,18H,1,8,11-12H2,2-3H3/t14-,15-,16+/m0/s1
InChIKeyMEENXIBHFBABEN-HRCADAONSA-N
XLogP2.66
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-phenylmethoxypent-4-en-2-ol?
The IUPAC name of (1R,2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-phenylmethoxypent-4-en-2-ol (CID 134906102) is (1R,2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-phenylmethoxypent-4-en-2-ol.
What is the SMILES notation for (1R,2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-phenylmethoxypent-4-en-2-ol?
The canonical SMILES for (1R,2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-phenylmethoxypent-4-en-2-ol is C=CC[C@H](O)[C@@H](OCc1ccccc1)[C@@H]1COC(C)(C)O1.
What is the InChIKey of (1R,2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-phenylmethoxypent-4-en-2-ol?
The InChIKey is MEENXIBHFBABEN-HRCADAONSA-N. The full InChI is InChI=1S/C17H24O4/c1-4-8-14(18)16(15-12-20-17(2,3)21-15)19-11-13-9-6-5-7-10-13/h4-7,9-10,14-16,18H,1,8,11-12H2,2-3H3/t14-,15-,16+/m0/s1.
What are the key properties of (1R,2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-phenylmethoxypent-4-en-2-ol?
(1R,2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-phenylmethoxypent-4-en-2-ol has a molecular weight of 292.37 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-phenylmethoxypent-4-en-2-ol is sourced from PubChem (CID 134906102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).