ethyl (4R,6R,8S)-4,6,8-trimethyl-9-(oxan-2-yloxy)nonanoate

C19H36O4 — CID 175678468

IUPACethyl (4R,6R,8S)-4,6,8-trimethyl-9-(oxan-2-yloxy)nonanoate
SMILESCCOC(=O)CC[C@@H](C)C[C@@H](C)C[C@H](C)COC1CCCCO1
InChIInChI=1S/C19H36O4/c1-5-21-18(20)10-9-15(2)12-16(3)13-17(4)14-23-19-8-6-7-11-22-19/h15-17,19H,5-14H2,1-4H3/t15-,16-,17+,19?/m1/s1
InChIKeyONPYIPSJRMYTGA-VLFFPSDRSA-N
MW328.49 g/mol
LogP4.56
Rot. Bonds11

About ethyl (4R,6R,8S)-4,6,8-trimethyl-9-(oxan-2-yloxy)nonanoate

ethyl (4R,6R,8S)-4,6,8-trimethyl-9-(oxan-2-yloxy)nonanoate (PubChem CID 175678468) has the molecular formula C19H36O4 and a molecular weight of 328.49 g/mol. Its IUPAC name is ethyl (4R,6R,8S)-4,6,8-trimethyl-9-(oxan-2-yloxy)nonanoate.

Molecular Properties

Compound Nameethyl (4R,6R,8S)-4,6,8-trimethyl-9-(oxan-2-yloxy)nonanoate
PubChem CID175678468
Molecular FormulaC19H36O4
Molecular Weight328.49 g/mol
Exact Mass328.26
IUPAC Nameethyl (4R,6R,8S)-4,6,8-trimethyl-9-(oxan-2-yloxy)nonanoate
SMILESCCOC(=O)CC[C@@H](C)C[C@@H](C)C[C@H](C)COC1CCCCO1
InChIInChI=1S/C19H36O4/c1-5-21-18(20)10-9-15(2)12-16(3)13-17(4)14-23-19-8-6-7-11-22-19/h15-17,19H,5-14H2,1-4H3/t15-,16-,17+,19?/m1/s1
InChIKeyONPYIPSJRMYTGA-VLFFPSDRSA-N
XLogP4.56
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.49
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl (4R,6R,8S)-4,6,8-trimethyl-9-(oxan-2-yloxy)nonanoate?
The IUPAC name of ethyl (4R,6R,8S)-4,6,8-trimethyl-9-(oxan-2-yloxy)nonanoate (CID 175678468) is ethyl (4R,6R,8S)-4,6,8-trimethyl-9-(oxan-2-yloxy)nonanoate.
What is the SMILES notation for ethyl (4R,6R,8S)-4,6,8-trimethyl-9-(oxan-2-yloxy)nonanoate?
The canonical SMILES for ethyl (4R,6R,8S)-4,6,8-trimethyl-9-(oxan-2-yloxy)nonanoate is CCOC(=O)CC[C@@H](C)C[C@@H](C)C[C@H](C)COC1CCCCO1.
What is the InChIKey of ethyl (4R,6R,8S)-4,6,8-trimethyl-9-(oxan-2-yloxy)nonanoate?
The InChIKey is ONPYIPSJRMYTGA-VLFFPSDRSA-N. The full InChI is InChI=1S/C19H36O4/c1-5-21-18(20)10-9-15(2)12-16(3)13-17(4)14-23-19-8-6-7-11-22-19/h15-17,19H,5-14H2,1-4H3/t15-,16-,17+,19?/m1/s1.
What are the key properties of ethyl (4R,6R,8S)-4,6,8-trimethyl-9-(oxan-2-yloxy)nonanoate?
ethyl (4R,6R,8S)-4,6,8-trimethyl-9-(oxan-2-yloxy)nonanoate has a molecular weight of 328.49 g/mol, XLogP of 4.56, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4R,6R,8S)-4,6,8-trimethyl-9-(oxan-2-yloxy)nonanoate is sourced from PubChem (CID 175678468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).