(5R)-3-[(4S)-4-methoxy-5-methylnon-1-en-2-yl]-5-methyloxane

C17H32O2 — CID 173320025

IUPAC(5R)-3-[(4S)-4-methoxy-5-methylnon-1-en-2-yl]-5-methyloxane
SMILESC=C(C[C@H](OC)C(C)CCCC)C1COC[C@H](C)C1
InChIInChI=1S/C17H32O2/c1-6-7-8-14(3)17(18-5)10-15(4)16-9-13(2)11-19-12-16/h13-14,16-17H,4,6-12H2,1-3,5H3/t13-,14?,16?,17+/m1/s1
InChIKeyUIIAWPBKSNFMDH-LYSZQXJVSA-N
MW268.44 g/mol
LogP4.45
Rot. Bonds8

About (5R)-3-[(4S)-4-methoxy-5-methylnon-1-en-2-yl]-5-methyloxane

(5R)-3-[(4S)-4-methoxy-5-methylnon-1-en-2-yl]-5-methyloxane (PubChem CID 173320025) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is (5R)-3-[(4S)-4-methoxy-5-methylnon-1-en-2-yl]-5-methyloxane.

Molecular Properties

Compound Name(5R)-3-[(4S)-4-methoxy-5-methylnon-1-en-2-yl]-5-methyloxane
PubChem CID173320025
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Name(5R)-3-[(4S)-4-methoxy-5-methylnon-1-en-2-yl]-5-methyloxane
SMILESC=C(C[C@H](OC)C(C)CCCC)C1COC[C@H](C)C1
InChIInChI=1S/C17H32O2/c1-6-7-8-14(3)17(18-5)10-15(4)16-9-13(2)11-19-12-16/h13-14,16-17H,4,6-12H2,1-3,5H3/t13-,14?,16?,17+/m1/s1
InChIKeyUIIAWPBKSNFMDH-LYSZQXJVSA-N
XLogP4.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-[(4S)-4-methoxy-5-methylnon-1-en-2-yl]-5-methyloxane?
The IUPAC name of (5R)-3-[(4S)-4-methoxy-5-methylnon-1-en-2-yl]-5-methyloxane (CID 173320025) is (5R)-3-[(4S)-4-methoxy-5-methylnon-1-en-2-yl]-5-methyloxane.
What is the SMILES notation for (5R)-3-[(4S)-4-methoxy-5-methylnon-1-en-2-yl]-5-methyloxane?
The canonical SMILES for (5R)-3-[(4S)-4-methoxy-5-methylnon-1-en-2-yl]-5-methyloxane is C=C(C[C@H](OC)C(C)CCCC)C1COC[C@H](C)C1.
What is the InChIKey of (5R)-3-[(4S)-4-methoxy-5-methylnon-1-en-2-yl]-5-methyloxane?
The InChIKey is UIIAWPBKSNFMDH-LYSZQXJVSA-N. The full InChI is InChI=1S/C17H32O2/c1-6-7-8-14(3)17(18-5)10-15(4)16-9-13(2)11-19-12-16/h13-14,16-17H,4,6-12H2,1-3,5H3/t13-,14?,16?,17+/m1/s1.
What are the key properties of (5R)-3-[(4S)-4-methoxy-5-methylnon-1-en-2-yl]-5-methyloxane?
(5R)-3-[(4S)-4-methoxy-5-methylnon-1-en-2-yl]-5-methyloxane has a molecular weight of 268.44 g/mol, XLogP of 4.45, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[(4S)-4-methoxy-5-methylnon-1-en-2-yl]-5-methyloxane is sourced from PubChem (CID 173320025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).