(2R,3S)-2-[(3S)-3-hydroxypent-1-ynyl]-3-[(Z)-non-1-enyl]oxiran-2-ol

C16H26O3 — CID 163194888

IUPAC(2R,3S)-2-[(3S)-3-hydroxypent-1-ynyl]-3-[(Z)-non-1-enyl]oxiran-2-ol
SMILESCCCCCCC/C=C\[C@@H]1O[C@]1(O)C#C[C@@H](O)CC
InChIInChI=1S/C16H26O3/c1-3-5-6-7-8-9-10-11-15-16(18,19-15)13-12-14(17)4-2/h10-11,14-15,17-18H,3-9H2,1-2H3/b11-10-/t14-,15-,16+/m0/s1
InChIKeyDJHLCTGUOQALNU-OYIQTZLNSA-N
MW266.38 g/mol
LogP2.76
Rot. Bonds8

About (2R,3S)-2-[(3S)-3-hydroxypent-1-ynyl]-3-[(Z)-non-1-enyl]oxiran-2-ol

(2R,3S)-2-[(3S)-3-hydroxypent-1-ynyl]-3-[(Z)-non-1-enyl]oxiran-2-ol (PubChem CID 163194888) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is (2R,3S)-2-[(3S)-3-hydroxypent-1-ynyl]-3-[(Z)-non-1-enyl]oxiran-2-ol.

Molecular Properties

Compound Name(2R,3S)-2-[(3S)-3-hydroxypent-1-ynyl]-3-[(Z)-non-1-enyl]oxiran-2-ol
PubChem CID163194888
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name(2R,3S)-2-[(3S)-3-hydroxypent-1-ynyl]-3-[(Z)-non-1-enyl]oxiran-2-ol
SMILESCCCCCCC/C=C\[C@@H]1O[C@]1(O)C#C[C@@H](O)CC
InChIInChI=1S/C16H26O3/c1-3-5-6-7-8-9-10-11-15-16(18,19-15)13-12-14(17)4-2/h10-11,14-15,17-18H,3-9H2,1-2H3/b11-10-/t14-,15-,16+/m0/s1
InChIKeyDJHLCTGUOQALNU-OYIQTZLNSA-N
XLogP2.76
TPSA52.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(2R,3S)-2-[(3S)-3-hydroxypent-1-ynyl]-3-non-1-enyloxiran-2-ol
CID 162866521
(E,4R,5S)-4-(methoxymethoxy)tridec-2-en-6-yn-5-ol
CID 10445037
(E,4S,5S)-4-(methoxymethoxy)tridec-2-en-6-yn-5-ol
CID 134992610
(3S)-7-[(4R,5R)-2,2-dimethyl-5-[(E)-oct-1-enyl]-1,3-dioxolan-4-yl]hepta-4,6-diyn-3-ol
CID 169104128
7-[(4R,5R)-2,2-dimethyl-5-[(E)-oct-1-enyl]-1,3-dioxolan-4-yl]hepta-4,6-diyn-3-ol
CID 169752508
2-(3-hydroxypent-1-ynyl)-3-[(Z)-non-1-enyl]oxiran-2-ol
CID 101543934
2-(3-Hydroxypent-1-ynyl)-3-non-1-enyloxiran-2-ol
CID 162866520

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[(3S)-3-hydroxypent-1-ynyl]-3-[(Z)-non-1-enyl]oxiran-2-ol?
The IUPAC name of (2R,3S)-2-[(3S)-3-hydroxypent-1-ynyl]-3-[(Z)-non-1-enyl]oxiran-2-ol (CID 163194888) is (2R,3S)-2-[(3S)-3-hydroxypent-1-ynyl]-3-[(Z)-non-1-enyl]oxiran-2-ol.
What is the SMILES notation for (2R,3S)-2-[(3S)-3-hydroxypent-1-ynyl]-3-[(Z)-non-1-enyl]oxiran-2-ol?
The canonical SMILES for (2R,3S)-2-[(3S)-3-hydroxypent-1-ynyl]-3-[(Z)-non-1-enyl]oxiran-2-ol is CCCCCCC/C=C\[C@@H]1O[C@]1(O)C#C[C@@H](O)CC.
What is the InChIKey of (2R,3S)-2-[(3S)-3-hydroxypent-1-ynyl]-3-[(Z)-non-1-enyl]oxiran-2-ol?
The InChIKey is DJHLCTGUOQALNU-OYIQTZLNSA-N. The full InChI is InChI=1S/C16H26O3/c1-3-5-6-7-8-9-10-11-15-16(18,19-15)13-12-14(17)4-2/h10-11,14-15,17-18H,3-9H2,1-2H3/b11-10-/t14-,15-,16+/m0/s1.
What are the key properties of (2R,3S)-2-[(3S)-3-hydroxypent-1-ynyl]-3-[(Z)-non-1-enyl]oxiran-2-ol?
(2R,3S)-2-[(3S)-3-hydroxypent-1-ynyl]-3-[(Z)-non-1-enyl]oxiran-2-ol has a molecular weight of 266.38 g/mol, XLogP of 2.76, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-[(3S)-3-hydroxypent-1-ynyl]-3-[(Z)-non-1-enyl]oxiran-2-ol is sourced from PubChem (CID 163194888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).