(3R,7S)-1,9-bis(methoxymethoxy)-3,5,7-trimethylnonane

C16H34O4 — CID 134854869

IUPAC(3R,7S)-1,9-bis(methoxymethoxy)-3,5,7-trimethylnonane
SMILESCOCOCC[C@@H](C)CC(C)C[C@@H](C)CCOCOC
InChIInChI=1S/C16H34O4/c1-14(6-8-19-12-17-4)10-16(3)11-15(2)7-9-20-13-18-5/h14-16H,6-13H2,1-5H3/t14-,15+,16?
InChIKeyITXUDIHXTPKARM-XYPWUTKMSA-N
MW290.44 g/mol
LogP3.70
Rot. Bonds14

About (3R,7S)-1,9-bis(methoxymethoxy)-3,5,7-trimethylnonane

(3R,7S)-1,9-bis(methoxymethoxy)-3,5,7-trimethylnonane (PubChem CID 134854869) has the molecular formula C16H34O4 and a molecular weight of 290.44 g/mol. Its IUPAC name is (3R,7S)-1,9-bis(methoxymethoxy)-3,5,7-trimethylnonane.

Molecular Properties

Compound Name(3R,7S)-1,9-bis(methoxymethoxy)-3,5,7-trimethylnonane
PubChem CID134854869
Molecular FormulaC16H34O4
Molecular Weight290.44 g/mol
Exact Mass290.25
IUPAC Name(3R,7S)-1,9-bis(methoxymethoxy)-3,5,7-trimethylnonane
SMILESCOCOCC[C@@H](C)CC(C)C[C@@H](C)CCOCOC
InChIInChI=1S/C16H34O4/c1-14(6-8-19-12-17-4)10-16(3)11-15(2)7-9-20-13-18-5/h14-16H,6-13H2,1-5H3/t14-,15+,16?
InChIKeyITXUDIHXTPKARM-XYPWUTKMSA-N
XLogP3.70
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Bis-Propylheptyl Carbonate
CID 87573553
3,3'-(Methylenebis(oxymethylene))bisheptane
CID 89612
Octane, 1,1-dimethoxy-3,7-dimethyl-
CID 109187
Isodecane, (methylidynetris(oxy))tris-
CID 117936
Undecane, 1,1-diethoxy-2-methyl-
CID 106788
Carbonic acid, 2-ethylhexyl octadecyl ester
CID 59502822
Carbonic acid, dodecyl 2-ethylhexyl ester
CID 91693128
Carbonic acid, 2-ethylhexyl tetradecyl ester
CID 91693130
Carbonic acid, 2-ethylhexyl hexadecyl ester
CID 91693165
2-(Diethoxymethyl)-1,1-diethoxyheptane
CID 12402798
2-(Diethoxymethyl)-1,1-diethoxynonane
CID 13660604
Bis(2-hexyldecyl) carbonate
CID 17958724

Frequently Asked Questions

What is the IUPAC name of (3R,7S)-1,9-bis(methoxymethoxy)-3,5,7-trimethylnonane?
The IUPAC name of (3R,7S)-1,9-bis(methoxymethoxy)-3,5,7-trimethylnonane (CID 134854869) is (3R,7S)-1,9-bis(methoxymethoxy)-3,5,7-trimethylnonane.
What is the SMILES notation for (3R,7S)-1,9-bis(methoxymethoxy)-3,5,7-trimethylnonane?
The canonical SMILES for (3R,7S)-1,9-bis(methoxymethoxy)-3,5,7-trimethylnonane is COCOCC[C@@H](C)CC(C)C[C@@H](C)CCOCOC.
What is the InChIKey of (3R,7S)-1,9-bis(methoxymethoxy)-3,5,7-trimethylnonane?
The InChIKey is ITXUDIHXTPKARM-XYPWUTKMSA-N. The full InChI is InChI=1S/C16H34O4/c1-14(6-8-19-12-17-4)10-16(3)11-15(2)7-9-20-13-18-5/h14-16H,6-13H2,1-5H3/t14-,15+,16?.
What are the key properties of (3R,7S)-1,9-bis(methoxymethoxy)-3,5,7-trimethylnonane?
(3R,7S)-1,9-bis(methoxymethoxy)-3,5,7-trimethylnonane has a molecular weight of 290.44 g/mol, XLogP of 3.70, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,7S)-1,9-bis(methoxymethoxy)-3,5,7-trimethylnonane is sourced from PubChem (CID 134854869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).