[(2R)-butan-2-yl] pentyl carbonate

C10H20O3 — CID 87213019

IUPAC[(2R)-butan-2-yl] pentyl carbonate
SMILESCCCCCOC(=O)O[C@H](C)CC
InChIInChI=1S/C10H20O3/c1-4-6-7-8-12-10(11)13-9(3)5-2/h9H,4-8H2,1-3H3/t9-/m1/s1
InChIKeyNIMFLDSDAJBOSX-SECBINFHSA-N
MW188.27 g/mol
LogP3.13
Rot. Bonds6

About [(2R)-butan-2-yl] pentyl carbonate

[(2R)-butan-2-yl] pentyl carbonate (PubChem CID 87213019) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is [(2R)-butan-2-yl] pentyl carbonate.

Molecular Properties

Compound Name[(2R)-butan-2-yl] pentyl carbonate
PubChem CID87213019
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name[(2R)-butan-2-yl] pentyl carbonate
SMILESCCCCCOC(=O)O[C@H](C)CC
InChIInChI=1S/C10H20O3/c1-4-6-7-8-12-10(11)13-9(3)5-2/h9H,4-8H2,1-3H3/t9-/m1/s1
InChIKeyNIMFLDSDAJBOSX-SECBINFHSA-N
XLogP3.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

butan-2-yl nonyl carbonate
CID 135224877
[(2S)-butan-2-yl] 3-fluoropropyl carbonate
CID 99769683
dodecyl 3-methylbutan-2-yl carbonate
CID 58052212
3-O-butan-2-yl 1-O-octyl propanedioate
CID 91703518
heptyl octyl carbonate
CID 21498015
dioctyl carbonate
CID 174882674
butyl pentyl carbonate
CID 545576
hexyl undecyl carbonate
CID 87299622
hexadecyl hexyl carbonate
CID 87300395
(1-iodo-2-methylpropyl) tridecyl carbonate
CID 172567594
[(2R)-butan-2-yl] [(2S)-butan-2-yl] carbonate
CID 173085312
butyl pentan-3-yl carbonate
CID 155213116

Frequently Asked Questions

What is the IUPAC name of [(2R)-butan-2-yl] pentyl carbonate?
The IUPAC name of [(2R)-butan-2-yl] pentyl carbonate (CID 87213019) is [(2R)-butan-2-yl] pentyl carbonate.
What is the SMILES notation for [(2R)-butan-2-yl] pentyl carbonate?
The canonical SMILES for [(2R)-butan-2-yl] pentyl carbonate is CCCCCOC(=O)O[C@H](C)CC.
What is the InChIKey of [(2R)-butan-2-yl] pentyl carbonate?
The InChIKey is NIMFLDSDAJBOSX-SECBINFHSA-N. The full InChI is InChI=1S/C10H20O3/c1-4-6-7-8-12-10(11)13-9(3)5-2/h9H,4-8H2,1-3H3/t9-/m1/s1.
What are the key properties of [(2R)-butan-2-yl] pentyl carbonate?
[(2R)-butan-2-yl] pentyl carbonate has a molecular weight of 188.27 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-butan-2-yl] pentyl carbonate is sourced from PubChem (CID 87213019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).