[(2R,4R,6R,8R)-4,6,8-trimethyldecan-2-yl] formate

C14H28O2 — CID 10988024

IUPAC[(2R,4R,6R,8R)-4,6,8-trimethyldecan-2-yl] formate
SMILESCC[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)OC=O
InChIInChI=1S/C14H28O2/c1-6-11(2)7-12(3)8-13(4)9-14(5)16-10-15/h10-14H,6-9H2,1-5H3/t11-,12-,13-,14-/m1/s1
InChIKeyDADONZZNAPBKET-AAVRWANBSA-N
MW228.38 g/mol
LogP4.04
Rot. Bonds9

About [(2R,4R,6R,8R)-4,6,8-trimethyldecan-2-yl] formate

[(2R,4R,6R,8R)-4,6,8-trimethyldecan-2-yl] formate (PubChem CID 10988024) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is [(2R,4R,6R,8R)-4,6,8-trimethyldecan-2-yl] formate.

Molecular Properties

Compound Name[(2R,4R,6R,8R)-4,6,8-trimethyldecan-2-yl] formate
PubChem CID10988024
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name[(2R,4R,6R,8R)-4,6,8-trimethyldecan-2-yl] formate
SMILESCC[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)OC=O
InChIInChI=1S/C14H28O2/c1-6-11(2)7-12(3)8-13(4)9-14(5)16-10-15/h10-14H,6-9H2,1-5H3/t11-,12-,13-,14-/m1/s1
InChIKeyDADONZZNAPBKET-AAVRWANBSA-N
XLogP4.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(2R,4R,6S,8S)-4,6,8,9-tetramethyldecan-2-yl] formate
CID 139247131
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1-butan-2-yloxypropan-2-yl formate
CID 139655513
3,5-dimethylheptane;ethane
CID 172617343
3,5,7,10,12-pentamethyltetradecane
CID 59582352
2,4,6,8-tetramethyldecane
CID 54224604
(3-acetyl-5-methylheptan-2-yl) formate
CID 121474626
1-hydroxypropan-2-yl formate
CID 22152793
2-hydroperoxy-4-methylhexane
CID 174465795
5,7-diformyloxynonan-3-yl formate
CID 118296602
3,5-dimethylheptane;3,4-dimethylhexane;3,6-dimethyloctane
CID 161182355
(2S,4R,6R,8R,10R)-2,4,6,8,10-pentamethyldodecan-1-ol
CID 54763066

Frequently Asked Questions

What is the IUPAC name of [(2R,4R,6R,8R)-4,6,8-trimethyldecan-2-yl] formate?
The IUPAC name of [(2R,4R,6R,8R)-4,6,8-trimethyldecan-2-yl] formate (CID 10988024) is [(2R,4R,6R,8R)-4,6,8-trimethyldecan-2-yl] formate.
What is the SMILES notation for [(2R,4R,6R,8R)-4,6,8-trimethyldecan-2-yl] formate?
The canonical SMILES for [(2R,4R,6R,8R)-4,6,8-trimethyldecan-2-yl] formate is CC[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)OC=O.
What is the InChIKey of [(2R,4R,6R,8R)-4,6,8-trimethyldecan-2-yl] formate?
The InChIKey is DADONZZNAPBKET-AAVRWANBSA-N. The full InChI is InChI=1S/C14H28O2/c1-6-11(2)7-12(3)8-13(4)9-14(5)16-10-15/h10-14H,6-9H2,1-5H3/t11-,12-,13-,14-/m1/s1.
What are the key properties of [(2R,4R,6R,8R)-4,6,8-trimethyldecan-2-yl] formate?
[(2R,4R,6R,8R)-4,6,8-trimethyldecan-2-yl] formate has a molecular weight of 228.38 g/mol, XLogP of 4.04, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R,6R,8R)-4,6,8-trimethyldecan-2-yl] formate is sourced from PubChem (CID 10988024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).