2-methylnonan-3-yl propyl carbonate

C14H28O3 — CID 129131693

IUPAC2-methylnonan-3-yl propyl carbonate
SMILESCCCCCCC(OC(=O)OCCC)C(C)C
InChIInChI=1S/C14H28O3/c1-5-7-8-9-10-13(12(3)4)17-14(15)16-11-6-2/h12-13H,5-11H2,1-4H3
InChIKeyFRVRGRFAPBSUFE-UHFFFAOYSA-N
MW244.37 g/mol
LogP4.54
Rot. Bonds9

About 2-methylnonan-3-yl propyl carbonate

2-methylnonan-3-yl propyl carbonate (PubChem CID 129131693) has the molecular formula C14H28O3 and a molecular weight of 244.37 g/mol. Its IUPAC name is 2-methylnonan-3-yl propyl carbonate.

Molecular Properties

Compound Name2-methylnonan-3-yl propyl carbonate
PubChem CID129131693
Molecular FormulaC14H28O3
Molecular Weight244.37 g/mol
Exact Mass244.20
IUPAC Name2-methylnonan-3-yl propyl carbonate
SMILESCCCCCCC(OC(=O)OCCC)C(C)C
InChIInChI=1S/C14H28O3/c1-5-7-8-9-10-13(12(3)4)17-14(15)16-11-6-2/h12-13H,5-11H2,1-4H3
InChIKeyFRVRGRFAPBSUFE-UHFFFAOYSA-N
XLogP4.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.37
LogP ≤ 54.54
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

dodecyl 3-methylbutan-2-yl carbonate
CID 58052212
2-methyl-3-(2-methyloctadecan-3-yloxy)octadecane
CID 19369989
[(3R)-2-methyloctadecan-3-yl] 2,2,2-trifluoroacetate
CID 91012006
(1-iodo-2-methylpropyl) tridecyl carbonate
CID 172567594
[(Z)-4-methyldec-2-enyl] 2-methylpentan-3-yl carbonate
CID 88881986
1-phenyloctyl propyl carbonate
CID 67180869
2-methylheptan-3-yl hydrogen carbonate
CID 87132104
propan-2-yl 2-propan-2-yldecanoate
CID 175067066
butan-2-yl nonyl carbonate
CID 135224877
4-amino-1-(2-methylnonan-3-yloxy)-1,4-dioxobutane-2-sulfonic acid
CID 18323596
propan-2-yl 2-pentyloctanoate
CID 130235852
dipropan-2-yl 2-octylpropanedioate
CID 18370785

Frequently Asked Questions

What is the IUPAC name of 2-methylnonan-3-yl propyl carbonate?
The IUPAC name of 2-methylnonan-3-yl propyl carbonate (CID 129131693) is 2-methylnonan-3-yl propyl carbonate.
What is the SMILES notation for 2-methylnonan-3-yl propyl carbonate?
The canonical SMILES for 2-methylnonan-3-yl propyl carbonate is CCCCCCC(OC(=O)OCCC)C(C)C.
What is the InChIKey of 2-methylnonan-3-yl propyl carbonate?
The InChIKey is FRVRGRFAPBSUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3/c1-5-7-8-9-10-13(12(3)4)17-14(15)16-11-6-2/h12-13H,5-11H2,1-4H3.
What are the key properties of 2-methylnonan-3-yl propyl carbonate?
2-methylnonan-3-yl propyl carbonate has a molecular weight of 244.37 g/mol, XLogP of 4.54, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylnonan-3-yl propyl carbonate is sourced from PubChem (CID 129131693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).