(1R)-1-[(5R)-5-[(1S)-1-hydroxypent-4-enyl]oxolan-2-yl]tridecan-1-ol

C22H42O3 — CID 59976503

IUPAC(1R)-1-[(5R)-5-[(1S)-1-hydroxypent-4-enyl]oxolan-2-yl]tridecan-1-ol
SMILESC=CCC[C@H](O)[C@H]1CCC([C@H](O)CCCCCCCCCCCC)O1
InChIInChI=1S/C22H42O3/c1-3-5-7-8-9-10-11-12-13-14-16-20(24)22-18-17-21(25-22)19(23)15-6-4-2/h4,19-24H,2-3,5-18H2,1H3/t19-,20+,21+,22?/m0/s1
InChIKeyXJYQGNNBDGDYCE-DJQAVYROSA-N
MW354.58 g/mol
LogP5.53
Rot. Bonds16

About (1R)-1-[(5R)-5-[(1S)-1-hydroxypent-4-enyl]oxolan-2-yl]tridecan-1-ol

(1R)-1-[(5R)-5-[(1S)-1-hydroxypent-4-enyl]oxolan-2-yl]tridecan-1-ol (PubChem CID 59976503) has the molecular formula C22H42O3 and a molecular weight of 354.58 g/mol. Its IUPAC name is (1R)-1-[(5R)-5-[(1S)-1-hydroxypent-4-enyl]oxolan-2-yl]tridecan-1-ol.

Molecular Properties

Compound Name(1R)-1-[(5R)-5-[(1S)-1-hydroxypent-4-enyl]oxolan-2-yl]tridecan-1-ol
PubChem CID59976503
Molecular FormulaC22H42O3
Molecular Weight354.58 g/mol
Exact Mass354.31
IUPAC Name(1R)-1-[(5R)-5-[(1S)-1-hydroxypent-4-enyl]oxolan-2-yl]tridecan-1-ol
SMILESC=CCC[C@H](O)[C@H]1CCC([C@H](O)CCCCCCCCCCCC)O1
InChIInChI=1S/C22H42O3/c1-3-5-7-8-9-10-11-12-13-14-16-20(24)22-18-17-21(25-22)19(23)15-6-4-2/h4,19-24H,2-3,5-18H2,1H3/t19-,20+,21+,22?/m0/s1
InChIKeyXJYQGNNBDGDYCE-DJQAVYROSA-N
XLogP5.53
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.58
LogP ≤ 55.53
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'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(5R)-5-[(1S)-1-hydroxypent-4-enyl]oxolan-2-yl]tridecan-1-ol?
The IUPAC name of (1R)-1-[(5R)-5-[(1S)-1-hydroxypent-4-enyl]oxolan-2-yl]tridecan-1-ol (CID 59976503) is (1R)-1-[(5R)-5-[(1S)-1-hydroxypent-4-enyl]oxolan-2-yl]tridecan-1-ol.
What is the SMILES notation for (1R)-1-[(5R)-5-[(1S)-1-hydroxypent-4-enyl]oxolan-2-yl]tridecan-1-ol?
The canonical SMILES for (1R)-1-[(5R)-5-[(1S)-1-hydroxypent-4-enyl]oxolan-2-yl]tridecan-1-ol is C=CCC[C@H](O)[C@H]1CCC([C@H](O)CCCCCCCCCCCC)O1.
What is the InChIKey of (1R)-1-[(5R)-5-[(1S)-1-hydroxypent-4-enyl]oxolan-2-yl]tridecan-1-ol?
The InChIKey is XJYQGNNBDGDYCE-DJQAVYROSA-N. The full InChI is InChI=1S/C22H42O3/c1-3-5-7-8-9-10-11-12-13-14-16-20(24)22-18-17-21(25-22)19(23)15-6-4-2/h4,19-24H,2-3,5-18H2,1H3/t19-,20+,21+,22?/m0/s1.
What are the key properties of (1R)-1-[(5R)-5-[(1S)-1-hydroxypent-4-enyl]oxolan-2-yl]tridecan-1-ol?
(1R)-1-[(5R)-5-[(1S)-1-hydroxypent-4-enyl]oxolan-2-yl]tridecan-1-ol has a molecular weight of 354.58 g/mol, XLogP of 5.53, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(5R)-5-[(1S)-1-hydroxypent-4-enyl]oxolan-2-yl]tridecan-1-ol is sourced from PubChem (CID 59976503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).