1-(2-ethenyl-1,4-dioxaspiro[4.5]decan-3-yl)-2-phenylmethoxyethanol

C19H26O4 — CID 163289119

IUPAC1-(2-ethenyl-1,4-dioxaspiro[4.5]decan-3-yl)-2-phenylmethoxyethanol
SMILESC=CC1OC2(CCCCC2)OC1C(O)COCc1ccccc1
InChIInChI=1S/C19H26O4/c1-2-17-18(23-19(22-17)11-7-4-8-12-19)16(20)14-21-13-15-9-5-3-6-10-15/h2-3,5-6,9-10,16-18,20H,1,4,7-8,11-14H2
InChIKeyHGMLWMOXJYGRTB-UHFFFAOYSA-N
MW318.41 g/mol
LogP3.19
Rot. Bonds6

About 1-(2-ethenyl-1,4-dioxaspiro[4.5]decan-3-yl)-2-phenylmethoxyethanol

1-(2-ethenyl-1,4-dioxaspiro[4.5]decan-3-yl)-2-phenylmethoxyethanol (PubChem CID 163289119) has the molecular formula C19H26O4 and a molecular weight of 318.41 g/mol. Its IUPAC name is 1-(2-ethenyl-1,4-dioxaspiro[4.5]decan-3-yl)-2-phenylmethoxyethanol.

Molecular Properties

Compound Name1-(2-ethenyl-1,4-dioxaspiro[4.5]decan-3-yl)-2-phenylmethoxyethanol
PubChem CID163289119
Molecular FormulaC19H26O4
Molecular Weight318.41 g/mol
Exact Mass318.18
IUPAC Name1-(2-ethenyl-1,4-dioxaspiro[4.5]decan-3-yl)-2-phenylmethoxyethanol
SMILESC=CC1OC2(CCCCC2)OC1C(O)COCc1ccccc1
InChIInChI=1S/C19H26O4/c1-2-17-18(23-19(22-17)11-7-4-8-12-19)16(20)14-21-13-15-9-5-3-6-10-15/h2-3,5-6,9-10,16-18,20H,1,4,7-8,11-14H2
InChIKeyHGMLWMOXJYGRTB-UHFFFAOYSA-N
XLogP3.19
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-[(2R)-1-phenylmethoxypent-4-en-2-yl]-1,4-dioxaspiro[4.5]decane
CID 71477674
CID 3257099
CID 3257099
(3aS,4R,5S,6S,7R,7aR)-4-phenylmethoxy-5,6,7-tris(prop-2-enoxy)spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,1'-cyclohexane]
CID 11070711
(3aR,4S,5S,6R,7S,7aS)-6-phenylmethoxy-4,7-bis(prop-2-enoxy)spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,1'-cyclohexane]-5-ol
CID 14077537
(1S)-1-[(3aR,5R,6R,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-phenylmethoxyethanol
CID 101047701
6',12'-Bis(benzyloxy)-dispiro(cyclohexane-1,3'-{2',4',8',10'-tetraoxatricyclo[7.4.3.0.0~7,11~]dodecane}-9',1''-cyclohexane)
CID 5051546
(1R)-1-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-phenylmethoxyethanol
CID 100964347
benzyl N-[(1R)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylmethoxyethyl]-N-prop-2-enylcarbamate
CID 102450773
1-[(2R,3R)-3-[(1R)-1,2-bis(phenylmethoxy)ethyl]-6,6-dimethyl-1,4-dioxan-2-yl]-2-phenylmethoxyethanol
CID 102600615
(3aR,4S,6R,6aS)-4-ethenyl-2,2-dimethyl-6-(phenylmethoxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
CID 134852419
(2R)-1-phenylmethoxy-3-(prop-2-enylamino)propan-2-ol
CID 118006903
(2R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-phenylmethoxypropan-2-ol
CID 10869218

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethenyl-1,4-dioxaspiro[4.5]decan-3-yl)-2-phenylmethoxyethanol?
The IUPAC name of 1-(2-ethenyl-1,4-dioxaspiro[4.5]decan-3-yl)-2-phenylmethoxyethanol (CID 163289119) is 1-(2-ethenyl-1,4-dioxaspiro[4.5]decan-3-yl)-2-phenylmethoxyethanol.
What is the SMILES notation for 1-(2-ethenyl-1,4-dioxaspiro[4.5]decan-3-yl)-2-phenylmethoxyethanol?
The canonical SMILES for 1-(2-ethenyl-1,4-dioxaspiro[4.5]decan-3-yl)-2-phenylmethoxyethanol is C=CC1OC2(CCCCC2)OC1C(O)COCc1ccccc1.
What is the InChIKey of 1-(2-ethenyl-1,4-dioxaspiro[4.5]decan-3-yl)-2-phenylmethoxyethanol?
The InChIKey is HGMLWMOXJYGRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O4/c1-2-17-18(23-19(22-17)11-7-4-8-12-19)16(20)14-21-13-15-9-5-3-6-10-15/h2-3,5-6,9-10,16-18,20H,1,4,7-8,11-14H2.
What are the key properties of 1-(2-ethenyl-1,4-dioxaspiro[4.5]decan-3-yl)-2-phenylmethoxyethanol?
1-(2-ethenyl-1,4-dioxaspiro[4.5]decan-3-yl)-2-phenylmethoxyethanol has a molecular weight of 318.41 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethenyl-1,4-dioxaspiro[4.5]decan-3-yl)-2-phenylmethoxyethanol is sourced from PubChem (CID 163289119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).