hexyl propyl carbonate

C10H20O3 — CID 13086495

IUPAChexyl propyl carbonate
SMILESCCCCCCOC(=O)OCCC
InChIInChI=1S/C10H20O3/c1-3-5-6-7-9-13-10(11)12-8-4-2/h3-9H2,1-2H3
InChIKeyRBPJXWIOAMIUBT-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.13
Rot. Bonds7

About hexyl propyl carbonate

hexyl propyl carbonate (PubChem CID 13086495) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is hexyl propyl carbonate.

Molecular Properties

Compound Namehexyl propyl carbonate
PubChem CID13086495
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Namehexyl propyl carbonate
SMILESCCCCCCOC(=O)OCCC
InChIInChI=1S/C10H20O3/c1-3-5-6-7-9-13-10(11)12-8-4-2/h3-9H2,1-2H3
InChIKeyRBPJXWIOAMIUBT-UHFFFAOYSA-N
XLogP3.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
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

Dicaprylyl Carbonate
CID 9904000
Dibutyl carbonate
CID 68333
Didodecyl carbonate
CID 246981
Dipentyl carbonate
CID 222266
1-[(Hexyloxy)methoxy]hexane
CID 521541
Cyclohexyl isopropyl carbonate
CID 22123692
1,3-Dioxacyclotridecan-2-one
CID 106297
Didecyl carbonate
CID 221759
Dihexyl carbonate
CID 522576
Carbonic acid, heptyl methyl ester
CID 526768
Carbonic acid, butyl propyl ester
CID 6420720
Methyl octyl carbonate
CID 6421218

Frequently Asked Questions

What is the IUPAC name of hexyl propyl carbonate?
The IUPAC name of hexyl propyl carbonate (CID 13086495) is hexyl propyl carbonate.
What is the SMILES notation for hexyl propyl carbonate?
The canonical SMILES for hexyl propyl carbonate is CCCCCCOC(=O)OCCC.
What is the InChIKey of hexyl propyl carbonate?
The InChIKey is RBPJXWIOAMIUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-3-5-6-7-9-13-10(11)12-8-4-2/h3-9H2,1-2H3.
What are the key properties of hexyl propyl carbonate?
hexyl propyl carbonate has a molecular weight of 188.27 g/mol, XLogP of 3.13, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl propyl carbonate is sourced from PubChem (CID 13086495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).