(1S)-1-[(5S,6R,8S)-8-phenylmethoxy-1-oxaspiro[4.6]undec-3-en-6-yl]ethanol

C19H26O3 — CID 46844716

IUPAC(1S)-1-[(5S,6R,8S)-8-phenylmethoxy-1-oxaspiro[4.6]undec-3-en-6-yl]ethanol
SMILESC[C@H](O)[C@H]1C[C@@H](OCc2ccccc2)CCC[C@]12C=CCO2
InChIInChI=1S/C19H26O3/c1-15(20)18-13-17(21-14-16-7-3-2-4-8-16)9-5-10-19(18)11-6-12-22-19/h2-4,6-8,11,15,17-18,20H,5,9-10,12-14H2,1H3/t15-,17-,18+,19-/m0/s1
InChIKeyOYSKDAXJTHTVOK-KANFNMMFSA-N
MW302.41 g/mol
LogP3.47
Rot. Bonds4

About (1S)-1-[(5S,6R,8S)-8-phenylmethoxy-1-oxaspiro[4.6]undec-3-en-6-yl]ethanol

(1S)-1-[(5S,6R,8S)-8-phenylmethoxy-1-oxaspiro[4.6]undec-3-en-6-yl]ethanol (PubChem CID 46844716) has the molecular formula C19H26O3 and a molecular weight of 302.41 g/mol. Its IUPAC name is (1S)-1-[(5S,6R,8S)-8-phenylmethoxy-1-oxaspiro[4.6]undec-3-en-6-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[(5S,6R,8S)-8-phenylmethoxy-1-oxaspiro[4.6]undec-3-en-6-yl]ethanol
PubChem CID46844716
Molecular FormulaC19H26O3
Molecular Weight302.41 g/mol
Exact Mass302.19
IUPAC Name(1S)-1-[(5S,6R,8S)-8-phenylmethoxy-1-oxaspiro[4.6]undec-3-en-6-yl]ethanol
SMILESC[C@H](O)[C@H]1C[C@@H](OCc2ccccc2)CCC[C@]12C=CCO2
InChIInChI=1S/C19H26O3/c1-15(20)18-13-17(21-14-16-7-3-2-4-8-16)9-5-10-19(18)11-6-12-22-19/h2-4,6-8,11,15,17-18,20H,5,9-10,12-14H2,1H3/t15-,17-,18+,19-/m0/s1
InChIKeyOYSKDAXJTHTVOK-KANFNMMFSA-N
XLogP3.47
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

trans-(1R,3R)-3-phenylmethoxycyclohexan-1-ol
CID 14172790
ethane;8-phenylmethoxy-1,4-dioxaspiro[4.5]decane
CID 143382520
3-[(1R,3S)-3-phenylmethoxycyclohexyl]oxypropane-1,2-diol
CID 59659244
azane;cyclopentyloxymethylbenzene
CID 69411306
1-chloro-2-[3-(cyclodecapentaenylmethoxy)cyclodecyl]ethanol
CID 155130998
1-(aminomethyl)-4-phenylmethoxycyclohexan-1-ol;hydrochloride
CID 69471607
1-[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]ethanol
CID 123779801
[2-[1-(hydroxymethyl)-3-phenylmethoxycyclohexyl]phenyl]methanol
CID 156775326
1-[(3S,6S)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]ethanol
CID 134423079
2-tert-butylphenol;cyclobutyloxymethylbenzene
CID 145450512
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
4-phenylmethoxy-2-propan-2-ylpyrrolidine
CID 23588974

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(5S,6R,8S)-8-phenylmethoxy-1-oxaspiro[4.6]undec-3-en-6-yl]ethanol?
The IUPAC name of (1S)-1-[(5S,6R,8S)-8-phenylmethoxy-1-oxaspiro[4.6]undec-3-en-6-yl]ethanol (CID 46844716) is (1S)-1-[(5S,6R,8S)-8-phenylmethoxy-1-oxaspiro[4.6]undec-3-en-6-yl]ethanol.
What is the SMILES notation for (1S)-1-[(5S,6R,8S)-8-phenylmethoxy-1-oxaspiro[4.6]undec-3-en-6-yl]ethanol?
The canonical SMILES for (1S)-1-[(5S,6R,8S)-8-phenylmethoxy-1-oxaspiro[4.6]undec-3-en-6-yl]ethanol is C[C@H](O)[C@H]1C[C@@H](OCc2ccccc2)CCC[C@]12C=CCO2.
What is the InChIKey of (1S)-1-[(5S,6R,8S)-8-phenylmethoxy-1-oxaspiro[4.6]undec-3-en-6-yl]ethanol?
The InChIKey is OYSKDAXJTHTVOK-KANFNMMFSA-N. The full InChI is InChI=1S/C19H26O3/c1-15(20)18-13-17(21-14-16-7-3-2-4-8-16)9-5-10-19(18)11-6-12-22-19/h2-4,6-8,11,15,17-18,20H,5,9-10,12-14H2,1H3/t15-,17-,18+,19-/m0/s1.
What are the key properties of (1S)-1-[(5S,6R,8S)-8-phenylmethoxy-1-oxaspiro[4.6]undec-3-en-6-yl]ethanol?
(1S)-1-[(5S,6R,8S)-8-phenylmethoxy-1-oxaspiro[4.6]undec-3-en-6-yl]ethanol has a molecular weight of 302.41 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(5S,6R,8S)-8-phenylmethoxy-1-oxaspiro[4.6]undec-3-en-6-yl]ethanol is sourced from PubChem (CID 46844716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).