3-ethylpent-1-en-3-yl 3-methylpentyl carbonate

C14H26O3 — CID 139639266

IUPAC3-ethylpent-1-en-3-yl 3-methylpentyl carbonate
SMILESC=CC(CC)(CC)OC(=O)OCCC(C)CC
InChIInChI=1S/C14H26O3/c1-6-12(5)10-11-16-13(15)17-14(7-2,8-3)9-4/h7,12H,2,6,8-11H2,1,3-5H3
InChIKeyNOWKVQXEBRYFSQ-UHFFFAOYSA-N
MW242.36 g/mol
LogP4.32
Rot. Bonds8

About 3-ethylpent-1-en-3-yl 3-methylpentyl carbonate

3-ethylpent-1-en-3-yl 3-methylpentyl carbonate (PubChem CID 139639266) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-ethylpent-1-en-3-yl 3-methylpentyl carbonate.

Molecular Properties

Compound Name3-ethylpent-1-en-3-yl 3-methylpentyl carbonate
PubChem CID139639266
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name3-ethylpent-1-en-3-yl 3-methylpentyl carbonate
SMILESC=CC(CC)(CC)OC(=O)OCCC(C)CC
InChIInChI=1S/C14H26O3/c1-6-12(5)10-11-16-13(15)17-14(7-2,8-3)9-4/h7,12H,2,6,8-11H2,1,3-5H3
InChIKeyNOWKVQXEBRYFSQ-UHFFFAOYSA-N
XLogP4.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethylpent-1-en-3-yl 3-methylpentyl carbonate?
The IUPAC name of 3-ethylpent-1-en-3-yl 3-methylpentyl carbonate (CID 139639266) is 3-ethylpent-1-en-3-yl 3-methylpentyl carbonate.
What is the SMILES notation for 3-ethylpent-1-en-3-yl 3-methylpentyl carbonate?
The canonical SMILES for 3-ethylpent-1-en-3-yl 3-methylpentyl carbonate is C=CC(CC)(CC)OC(=O)OCCC(C)CC.
What is the InChIKey of 3-ethylpent-1-en-3-yl 3-methylpentyl carbonate?
The InChIKey is NOWKVQXEBRYFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c1-6-12(5)10-11-16-13(15)17-14(7-2,8-3)9-4/h7,12H,2,6,8-11H2,1,3-5H3.
What are the key properties of 3-ethylpent-1-en-3-yl 3-methylpentyl carbonate?
3-ethylpent-1-en-3-yl 3-methylpentyl carbonate has a molecular weight of 242.36 g/mol, XLogP of 4.32, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylpent-1-en-3-yl 3-methylpentyl carbonate is sourced from PubChem (CID 139639266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).