(4S,5R)-2-methoxy-4-pentoxy-5-(pentoxymethyl)oxolan-2-ol

C16H32O5 — CID 87604924

IUPAC(4S,5R)-2-methoxy-4-pentoxy-5-(pentoxymethyl)oxolan-2-ol
SMILESCCCCCOC[C@H]1OC(O)(OC)C[C@@H]1OCCCCC
InChIInChI=1S/C16H32O5/c1-4-6-8-10-19-13-15-14(20-11-9-7-5-2)12-16(17,18-3)21-15/h14-15,17H,4-13H2,1-3H3/t14-,15+,16?/m0/s1
InChIKeyIXUSLQLMNFMKMW-QMRHZFGWSA-N
MW304.43 g/mol
LogP2.85
Rot. Bonds12

About (4S,5R)-2-methoxy-4-pentoxy-5-(pentoxymethyl)oxolan-2-ol

(4S,5R)-2-methoxy-4-pentoxy-5-(pentoxymethyl)oxolan-2-ol (PubChem CID 87604924) has the molecular formula C16H32O5 and a molecular weight of 304.43 g/mol. Its IUPAC name is (4S,5R)-2-methoxy-4-pentoxy-5-(pentoxymethyl)oxolan-2-ol.

Molecular Properties

Compound Name(4S,5R)-2-methoxy-4-pentoxy-5-(pentoxymethyl)oxolan-2-ol
PubChem CID87604924
Molecular FormulaC16H32O5
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name(4S,5R)-2-methoxy-4-pentoxy-5-(pentoxymethyl)oxolan-2-ol
SMILESCCCCCOC[C@H]1OC(O)(OC)C[C@@H]1OCCCCC
InChIInChI=1S/C16H32O5/c1-4-6-8-10-19-13-15-14(20-11-9-7-5-2)12-16(17,18-3)21-15/h14-15,17H,4-13H2,1-3H3/t14-,15+,16?/m0/s1
InChIKeyIXUSLQLMNFMKMW-QMRHZFGWSA-N
XLogP2.85
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2R,3S,4R)-6-pentoxy-2-(pentoxymethyl)oxane-3,4-diol
CID 121434694
(2R,3R,4S,5S)-2-bromo-3,4-dipentoxy-5-(pentoxymethyl)oxolane
CID 70484423
5-pentoxy-6-(pentoxymethyl)oxan-2-ol;2-propan-2-ylguanidine
CID 19956025
(3aS,6R,6aS)-4-hexadecoxy-6-(hexadecoxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
CID 101350660
(3S,4S,5R,6R)-4,5-dibutoxy-6-(butoxymethyl)-3-methyloxan-3-ol
CID 118528134
(2R,3R,4R,5S)-3,4,5-tributoxy-2-(butoxymethyl)-7-methyloxepane
CID 71207120
(3R,4R,5R)-3,4-dibutoxy-5-(butoxymethyl)oxolan-2-ol
CID 66641660
3,4-dibutoxy-5-(butoxymethyl)oxolan-2-ol
CID 77157010
4-[4-[(2-hydroxy-2-pentyl-1,3-dioxolan-4-yl)methoxy]butoxymethyl]-2-pentyl-1,3-dioxolan-2-ol
CID 58971744
(4S,5S,6R)-4,5-dibutoxy-6-(butoxymethyl)oxaphosphinan-2-ium 2-oxide
CID 71039148
5-butoxy-6-(butoxymethyl)oxan-2-ol;2-ethylguanidine
CID 19956021
7-[(4S,5R)-4-butoxy-5-(butoxymethyl)-2-methyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 66807133

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-2-methoxy-4-pentoxy-5-(pentoxymethyl)oxolan-2-ol?
The IUPAC name of (4S,5R)-2-methoxy-4-pentoxy-5-(pentoxymethyl)oxolan-2-ol (CID 87604924) is (4S,5R)-2-methoxy-4-pentoxy-5-(pentoxymethyl)oxolan-2-ol.
What is the SMILES notation for (4S,5R)-2-methoxy-4-pentoxy-5-(pentoxymethyl)oxolan-2-ol?
The canonical SMILES for (4S,5R)-2-methoxy-4-pentoxy-5-(pentoxymethyl)oxolan-2-ol is CCCCCOC[C@H]1OC(O)(OC)C[C@@H]1OCCCCC.
What is the InChIKey of (4S,5R)-2-methoxy-4-pentoxy-5-(pentoxymethyl)oxolan-2-ol?
The InChIKey is IXUSLQLMNFMKMW-QMRHZFGWSA-N. The full InChI is InChI=1S/C16H32O5/c1-4-6-8-10-19-13-15-14(20-11-9-7-5-2)12-16(17,18-3)21-15/h14-15,17H,4-13H2,1-3H3/t14-,15+,16?/m0/s1.
What are the key properties of (4S,5R)-2-methoxy-4-pentoxy-5-(pentoxymethyl)oxolan-2-ol?
(4S,5R)-2-methoxy-4-pentoxy-5-(pentoxymethyl)oxolan-2-ol has a molecular weight of 304.43 g/mol, XLogP of 2.85, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-2-methoxy-4-pentoxy-5-(pentoxymethyl)oxolan-2-ol is sourced from PubChem (CID 87604924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).