2-methylpropyl pent-4-enyl carbonate

C10H18O3 — CID 91694409

IUPAC2-methylpropyl pent-4-enyl carbonate
SMILESC=CCCCOC(=O)OCC(C)C
InChIInChI=1S/C10H18O3/c1-4-5-6-7-12-10(11)13-8-9(2)3/h4,9H,1,5-8H2,2-3H3
InChIKeyIQAXRYFFBMRWTP-UHFFFAOYSA-N
MW186.25 g/mol
LogP2.76
Rot. Bonds6

About 2-methylpropyl pent-4-enyl carbonate

2-methylpropyl pent-4-enyl carbonate (PubChem CID 91694409) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-methylpropyl pent-4-enyl carbonate.

Molecular Properties

Compound Name2-methylpropyl pent-4-enyl carbonate
PubChem CID91694409
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2-methylpropyl pent-4-enyl carbonate
SMILESC=CCCCOC(=O)OCC(C)C
InChIInChI=1S/C10H18O3/c1-4-5-6-7-12-10(11)13-8-9(2)3/h4,9H,1,5-8H2,2-3H3
InChIKeyIQAXRYFFBMRWTP-UHFFFAOYSA-N
XLogP2.76
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methylpropyl prop-2-enyl carbonate
CID 6420250
ethyl hex-5-enyl carbonate
CID 45140691
2-methylpropyl pentyl carbonate;propane
CID 159689865
ethanol;2-methylpropyl pentyl carbonate
CID 174542240
pent-4-enyl 3-chlorobutanoate
CID 527693
oct-7-enyl 2-methylpropanoate
CID 87633860
but-3-enyl pentadecyl carbonate
CID 91692457
undec-10-enyl 2-(2-methylpropoxycarbonylamino)propanoate
CID 6423188
undec-10-enyl (2S)-2-(2-methylpropoxycarbonylamino)propanoate
CID 20837026
2-methylpropyl 2-oct-7-enyldec-9-enoate
CID 177270214
pent-4-enyl 2,2-dibromoacetate
CID 527599
2-methylbut-3-en-2-yl 2-methylpropyl carbonate
CID 11217669

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl pent-4-enyl carbonate?
The IUPAC name of 2-methylpropyl pent-4-enyl carbonate (CID 91694409) is 2-methylpropyl pent-4-enyl carbonate.
What is the SMILES notation for 2-methylpropyl pent-4-enyl carbonate?
The canonical SMILES for 2-methylpropyl pent-4-enyl carbonate is C=CCCCOC(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl pent-4-enyl carbonate?
The InChIKey is IQAXRYFFBMRWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-4-5-6-7-12-10(11)13-8-9(2)3/h4,9H,1,5-8H2,2-3H3.
What are the key properties of 2-methylpropyl pent-4-enyl carbonate?
2-methylpropyl pent-4-enyl carbonate has a molecular weight of 186.25 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl pent-4-enyl carbonate is sourced from PubChem (CID 91694409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).