8-methylnonyl propan-2-yl carbonate

C14H28O3 — CID 174595196

IUPAC8-methylnonyl propan-2-yl carbonate
SMILESCC(C)CCCCCCCOC(=O)OC(C)C
InChIInChI=1S/C14H28O3/c1-12(2)10-8-6-5-7-9-11-16-14(15)17-13(3)4/h12-13H,5-11H2,1-4H3
InChIKeyNDYJRXRANMTVFX-UHFFFAOYSA-N
MW244.37 g/mol
LogP4.54
Rot. Bonds9

About 8-methylnonyl propan-2-yl carbonate

8-methylnonyl propan-2-yl carbonate (PubChem CID 174595196) has the molecular formula C14H28O3 and a molecular weight of 244.37 g/mol. Its IUPAC name is 8-methylnonyl propan-2-yl carbonate.

Molecular Properties

Compound Name8-methylnonyl propan-2-yl carbonate
PubChem CID174595196
Molecular FormulaC14H28O3
Molecular Weight244.37 g/mol
Exact Mass244.20
IUPAC Name8-methylnonyl propan-2-yl carbonate
SMILESCC(C)CCCCCCCOC(=O)OC(C)C
InChIInChI=1S/C14H28O3/c1-12(2)10-8-6-5-7-9-11-16-14(15)17-13(3)4/h12-13H,5-11H2,1-4H3
InChIKeyNDYJRXRANMTVFX-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

bis(8-methylnonyl) carbonate
CID 23302119
bis(14-methylpentadecyl) oxalate
CID 88541014
6-chlorohexyl propan-2-yl carbonate
CID 107708041
[3-(11-methyldodecoxycarbonyloxy)cyclohexyl] propan-2-yl carbonate
CID 23065854
16-methylheptadecyl carbamate
CID 175072884
14-methylpentadecyl carbamate
CID 175375850
6-methylheptyl acetate
CID 175958030
5-(dihydroxyamino)oxyhexyl propan-2-yl carbonate
CID 89005665
[4-(10-methylundecoxycarbonyloxy)cyclohexyl] 10-methylundecyl carbonate
CID 23066469
16-methylheptadecyl (2S)-2-aminopropanoate
CID 138561160
bis(6-methylheptyl) propanedioate
CID 141192474
bis(6-methylheptyl) 2,3-dihydroxybutanedioate
CID 87505003

Frequently Asked Questions

What is the IUPAC name of 8-methylnonyl propan-2-yl carbonate?
The IUPAC name of 8-methylnonyl propan-2-yl carbonate (CID 174595196) is 8-methylnonyl propan-2-yl carbonate.
What is the SMILES notation for 8-methylnonyl propan-2-yl carbonate?
The canonical SMILES for 8-methylnonyl propan-2-yl carbonate is CC(C)CCCCCCCOC(=O)OC(C)C.
What is the InChIKey of 8-methylnonyl propan-2-yl carbonate?
The InChIKey is NDYJRXRANMTVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3/c1-12(2)10-8-6-5-7-9-11-16-14(15)17-13(3)4/h12-13H,5-11H2,1-4H3.
What are the key properties of 8-methylnonyl propan-2-yl carbonate?
8-methylnonyl propan-2-yl 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 8-methylnonyl propan-2-yl carbonate is sourced from PubChem (CID 174595196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).