(2S,3S)-2-[(Z)-non-1-enyl]-3-(phenylmethoxymethyl)oxirane

C19H28O2 — CID 23729971

IUPAC(2S,3S)-2-[(Z)-non-1-enyl]-3-(phenylmethoxymethyl)oxirane
SMILESCCCCCCC/C=C\[C@@H]1O[C@H]1COCc1ccccc1
InChIInChI=1S/C19H28O2/c1-2-3-4-5-6-7-11-14-18-19(21-18)16-20-15-17-12-9-8-10-13-17/h8-14,18-19H,2-7,15-16H2,1H3/b14-11-/t18-,19-/m0/s1
InChIKeyRLHRJKOISZDLHF-ZUKORNFRSA-N
MW288.43 g/mol
LogP4.89
Rot. Bonds11

About (2S,3S)-2-[(Z)-non-1-enyl]-3-(phenylmethoxymethyl)oxirane

(2S,3S)-2-[(Z)-non-1-enyl]-3-(phenylmethoxymethyl)oxirane (PubChem CID 23729971) has the molecular formula C19H28O2 and a molecular weight of 288.43 g/mol. Its IUPAC name is (2S,3S)-2-[(Z)-non-1-enyl]-3-(phenylmethoxymethyl)oxirane.

Molecular Properties

Compound Name(2S,3S)-2-[(Z)-non-1-enyl]-3-(phenylmethoxymethyl)oxirane
PubChem CID23729971
Molecular FormulaC19H28O2
Molecular Weight288.43 g/mol
Exact Mass288.21
IUPAC Name(2S,3S)-2-[(Z)-non-1-enyl]-3-(phenylmethoxymethyl)oxirane
SMILESCCCCCCC/C=C\[C@@H]1O[C@H]1COCc1ccccc1
InChIInChI=1S/C19H28O2/c1-2-3-4-5-6-7-11-14-18-19(21-18)16-20-15-17-12-9-8-10-13-17/h8-14,18-19H,2-7,15-16H2,1H3/b14-11-/t18-,19-/m0/s1
InChIKeyRLHRJKOISZDLHF-ZUKORNFRSA-N
XLogP4.89
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(2R,3S)-2-[(E)-hex-1-enyl]-3-(phenylmethoxymethyl)oxirane
CID 10422041
(4S,5S)-4-[(E)-pentadec-1-enyl]-5-(phenylmethoxymethyl)-1,3-oxazolidin-2-one
CID 10982596
(2R,3S,4R,5R,6R)-2-[(Z)-hex-1-enyl]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol
CID 177482911
(2S,3R)-2-[(E)-pentadec-1-enyl]-3-(phenylmethoxymethyl)aziridine
CID 10926798
[(E)-hexacos-15-enoxy]methylbenzene
CID 58900689
[(Z)-pentadec-6-enoxy]methylbenzene
CID 10591538
(4S,5S)-4-[(4-methoxyphenyl)methoxymethyl]-2,2-dimethyl-5-[(Z)-non-1-enyl]-1,3-dioxolane
CID 10619567
(1R)-1-[(4S,5R)-2,2-dimethyl-5-[(E)-tetradec-1-enyl]-1,3-dioxolan-4-yl]-2-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyethanol
CID 25138429
undec-4-enoxymethylbenzene
CID 158781580
(2S,3S,4R,5R)-5-(hexadecoxymethyl)-3,4-bis(phenylmethoxy)oxolane-2-carbaldehyde
CID 101388975
(2S,3R,4S,5S,6R)-2-[(2S)-2-azido-2-[(4S,5R)-2,2-dimethyl-5-[(Z)-tetradec-1-enyl]-1,3-dioxolan-4-yl]ethoxy]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 71574061
[(1R,2R,6S)-2-methoxy-3,3-dimethyl-6-non-1-enylcyclohexyl]methoxymethylbenzene
CID 57274536

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-[(Z)-non-1-enyl]-3-(phenylmethoxymethyl)oxirane?
The IUPAC name of (2S,3S)-2-[(Z)-non-1-enyl]-3-(phenylmethoxymethyl)oxirane (CID 23729971) is (2S,3S)-2-[(Z)-non-1-enyl]-3-(phenylmethoxymethyl)oxirane.
What is the SMILES notation for (2S,3S)-2-[(Z)-non-1-enyl]-3-(phenylmethoxymethyl)oxirane?
The canonical SMILES for (2S,3S)-2-[(Z)-non-1-enyl]-3-(phenylmethoxymethyl)oxirane is CCCCCCC/C=C\[C@@H]1O[C@H]1COCc1ccccc1.
What is the InChIKey of (2S,3S)-2-[(Z)-non-1-enyl]-3-(phenylmethoxymethyl)oxirane?
The InChIKey is RLHRJKOISZDLHF-ZUKORNFRSA-N. The full InChI is InChI=1S/C19H28O2/c1-2-3-4-5-6-7-11-14-18-19(21-18)16-20-15-17-12-9-8-10-13-17/h8-14,18-19H,2-7,15-16H2,1H3/b14-11-/t18-,19-/m0/s1.
What are the key properties of (2S,3S)-2-[(Z)-non-1-enyl]-3-(phenylmethoxymethyl)oxirane?
(2S,3S)-2-[(Z)-non-1-enyl]-3-(phenylmethoxymethyl)oxirane has a molecular weight of 288.43 g/mol, XLogP of 4.89, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-[(Z)-non-1-enyl]-3-(phenylmethoxymethyl)oxirane is sourced from PubChem (CID 23729971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).