(3R,4R,5R,6R,9S)-9-methoxy-5-(methoxymethoxy)-4,6-dimethylundec-10-ene-1,3-diol

C16H32O5 — CID 10614480

IUPAC(3R,4R,5R,6R,9S)-9-methoxy-5-(methoxymethoxy)-4,6-dimethylundec-10-ene-1,3-diol
SMILESC=C[C@H](CC[C@@H](C)[C@@H](OCOC)[C@H](C)[C@H](O)CCO)OC
InChIInChI=1S/C16H32O5/c1-6-14(20-5)8-7-12(2)16(21-11-19-4)13(3)15(18)9-10-17/h6,12-18H,1,7-11H2,2-5H3/t12-,13-,14-,15-,16-/m1/s1
InChIKeyZFASEVSQCHTLOX-OXGONZEZSA-N
MW304.43 g/mol
LogP1.97
Rot. Bonds13

About (3R,4R,5R,6R,9S)-9-methoxy-5-(methoxymethoxy)-4,6-dimethylundec-10-ene-1,3-diol

(3R,4R,5R,6R,9S)-9-methoxy-5-(methoxymethoxy)-4,6-dimethylundec-10-ene-1,3-diol (PubChem CID 10614480) has the molecular formula C16H32O5 and a molecular weight of 304.43 g/mol. Its IUPAC name is (3R,4R,5R,6R,9S)-9-methoxy-5-(methoxymethoxy)-4,6-dimethylundec-10-ene-1,3-diol.

Molecular Properties

Compound Name(3R,4R,5R,6R,9S)-9-methoxy-5-(methoxymethoxy)-4,6-dimethylundec-10-ene-1,3-diol
PubChem CID10614480
Molecular FormulaC16H32O5
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name(3R,4R,5R,6R,9S)-9-methoxy-5-(methoxymethoxy)-4,6-dimethylundec-10-ene-1,3-diol
SMILESC=C[C@H](CC[C@@H](C)[C@@H](OCOC)[C@H](C)[C@H](O)CCO)OC
InChIInChI=1S/C16H32O5/c1-6-14(20-5)8-7-12(2)16(21-11-19-4)13(3)15(18)9-10-17/h6,12-18H,1,7-11H2,2-5H3/t12-,13-,14-,15-,16-/m1/s1
InChIKeyZFASEVSQCHTLOX-OXGONZEZSA-N
XLogP1.97
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,4R,5R,6R,9S)-9-methoxy-5-(methoxymethoxy)-4,6-dimethylundec-10-ene-1,3-diol?
The IUPAC name of (3R,4R,5R,6R,9S)-9-methoxy-5-(methoxymethoxy)-4,6-dimethylundec-10-ene-1,3-diol (CID 10614480) is (3R,4R,5R,6R,9S)-9-methoxy-5-(methoxymethoxy)-4,6-dimethylundec-10-ene-1,3-diol.
What is the SMILES notation for (3R,4R,5R,6R,9S)-9-methoxy-5-(methoxymethoxy)-4,6-dimethylundec-10-ene-1,3-diol?
The canonical SMILES for (3R,4R,5R,6R,9S)-9-methoxy-5-(methoxymethoxy)-4,6-dimethylundec-10-ene-1,3-diol is C=C[C@H](CC[C@@H](C)[C@@H](OCOC)[C@H](C)[C@H](O)CCO)OC.
What is the InChIKey of (3R,4R,5R,6R,9S)-9-methoxy-5-(methoxymethoxy)-4,6-dimethylundec-10-ene-1,3-diol?
The InChIKey is ZFASEVSQCHTLOX-OXGONZEZSA-N. The full InChI is InChI=1S/C16H32O5/c1-6-14(20-5)8-7-12(2)16(21-11-19-4)13(3)15(18)9-10-17/h6,12-18H,1,7-11H2,2-5H3/t12-,13-,14-,15-,16-/m1/s1.
What are the key properties of (3R,4R,5R,6R,9S)-9-methoxy-5-(methoxymethoxy)-4,6-dimethylundec-10-ene-1,3-diol?
(3R,4R,5R,6R,9S)-9-methoxy-5-(methoxymethoxy)-4,6-dimethylundec-10-ene-1,3-diol has a molecular weight of 304.43 g/mol, XLogP of 1.97, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R,6R,9S)-9-methoxy-5-(methoxymethoxy)-4,6-dimethylundec-10-ene-1,3-diol is sourced from PubChem (CID 10614480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).