3-methylpentan-2-yl pentan-3-yl carbonate

C12H24O3 — CID 139479446

IUPAC3-methylpentan-2-yl pentan-3-yl carbonate
SMILESCCC(CC)OC(=O)OC(C)C(C)CC
InChIInChI=1S/C12H24O3/c1-6-9(4)10(5)14-12(13)15-11(7-2)8-3/h9-11H,6-8H2,1-5H3
InChIKeyWLQDXZLDKAPBKZ-UHFFFAOYSA-N
MW216.32 g/mol
LogP3.76
Rot. Bonds6

About 3-methylpentan-2-yl pentan-3-yl carbonate

3-methylpentan-2-yl pentan-3-yl carbonate (PubChem CID 139479446) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is 3-methylpentan-2-yl pentan-3-yl carbonate.

Molecular Properties

Compound Name3-methylpentan-2-yl pentan-3-yl carbonate
PubChem CID139479446
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name3-methylpentan-2-yl pentan-3-yl carbonate
SMILESCCC(CC)OC(=O)OC(C)C(C)CC
InChIInChI=1S/C12H24O3/c1-6-9(4)10(5)14-12(13)15-11(7-2)8-3/h9-11H,6-8H2,1-5H3
InChIKeyWLQDXZLDKAPBKZ-UHFFFAOYSA-N
XLogP3.76
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-bromoethyl pentan-3-yl carbonate
CID 54044128
tert-butyl 3-methylpentan-2-yl carbonate
CID 129191727
diheptan-3-yl carbonate
CID 87131933
bis(1,1,1-trifluoropentan-3-yl) carbonate
CID 87132428
tert-butyl pentan-3-yl carbonate
CID 88907075
[(2R)-butan-2-yl] [(2S)-butan-2-yl] carbonate
CID 173085312
1-chloroethyl hexan-3-yl carbonate
CID 144755490
3-methylpentan-2-yl N,N-dichlorocarbamate
CID 23320292
tert-butyl 3-methylhexan-2-yl carbonate
CID 130432376
3-methylpentan-2-yl but-2-enoate
CID 86762558
butyl pentan-3-yl carbonate
CID 155213116
dipentan-3-yl hexa-2,4-dienedioate
CID 123772467

Frequently Asked Questions

What is the IUPAC name of 3-methylpentan-2-yl pentan-3-yl carbonate?
The IUPAC name of 3-methylpentan-2-yl pentan-3-yl carbonate (CID 139479446) is 3-methylpentan-2-yl pentan-3-yl carbonate.
What is the SMILES notation for 3-methylpentan-2-yl pentan-3-yl carbonate?
The canonical SMILES for 3-methylpentan-2-yl pentan-3-yl carbonate is CCC(CC)OC(=O)OC(C)C(C)CC.
What is the InChIKey of 3-methylpentan-2-yl pentan-3-yl carbonate?
The InChIKey is WLQDXZLDKAPBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3/c1-6-9(4)10(5)14-12(13)15-11(7-2)8-3/h9-11H,6-8H2,1-5H3.
What are the key properties of 3-methylpentan-2-yl pentan-3-yl carbonate?
3-methylpentan-2-yl pentan-3-yl carbonate has a molecular weight of 216.32 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpentan-2-yl pentan-3-yl carbonate is sourced from PubChem (CID 139479446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).