(2-ethyl-1-phenyldecyl) formate

C19H30O2 — CID 174631629

IUPAC(2-ethyl-1-phenyldecyl) formate
SMILESCCCCCCCCC(CC)C(OC=O)c1ccccc1
InChIInChI=1S/C19H30O2/c1-3-5-6-7-8-10-13-17(4-2)19(21-16-20)18-14-11-9-12-15-18/h9,11-12,14-17,19H,3-8,10,13H2,1-2H3
InChIKeyVMVHCIZNHMESKD-UHFFFAOYSA-N
MW290.45 g/mol
LogP5.68
Rot. Bonds12

About (2-ethyl-1-phenyldecyl) formate

(2-ethyl-1-phenyldecyl) formate (PubChem CID 174631629) has the molecular formula C19H30O2 and a molecular weight of 290.45 g/mol. Its IUPAC name is (2-ethyl-1-phenyldecyl) formate.

Molecular Properties

Compound Name(2-ethyl-1-phenyldecyl) formate
PubChem CID174631629
Molecular FormulaC19H30O2
Molecular Weight290.45 g/mol
Exact Mass290.22
IUPAC Name(2-ethyl-1-phenyldecyl) formate
SMILESCCCCCCCCC(CC)C(OC=O)c1ccccc1
InChIInChI=1S/C19H30O2/c1-3-5-6-7-8-10-13-17(4-2)19(21-16-20)18-14-11-9-12-15-18/h9,11-12,14-17,19H,3-8,10,13H2,1-2H3
InChIKeyVMVHCIZNHMESKD-UHFFFAOYSA-N
XLogP5.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-ethyl-1-phenylheptyl) formate
CID 174539302
1-phenylnonyl formate
CID 174585088
1-phenyldodecyl formate
CID 91598065
1-phenylheptyl formate
CID 174746901
(2-ethyl-1-phenylhexyl) hydrogen carbonate
CID 176898720
1-phenylpentyl formate
CID 54289292
1-(4-phenylsulfanylphenyl)octyl formate
CID 174853555
[(1R)-1-diethoxyphosphorylheptyl]benzene
CID 166637247
N-(2-ethyl-1-phenylhexyl)formamide
CID 138546224
1-(1-phenyloctadecoxy)octadecylbenzene
CID 175415236
icosan-10-ylbenzene
CID 54351357
hentriacontan-13-ylbenzene
CID 91306613

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-1-phenyldecyl) formate?
The IUPAC name of (2-ethyl-1-phenyldecyl) formate (CID 174631629) is (2-ethyl-1-phenyldecyl) formate.
What is the SMILES notation for (2-ethyl-1-phenyldecyl) formate?
The canonical SMILES for (2-ethyl-1-phenyldecyl) formate is CCCCCCCCC(CC)C(OC=O)c1ccccc1.
What is the InChIKey of (2-ethyl-1-phenyldecyl) formate?
The InChIKey is VMVHCIZNHMESKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O2/c1-3-5-6-7-8-10-13-17(4-2)19(21-16-20)18-14-11-9-12-15-18/h9,11-12,14-17,19H,3-8,10,13H2,1-2H3.
What are the key properties of (2-ethyl-1-phenyldecyl) formate?
(2-ethyl-1-phenyldecyl) formate has a molecular weight of 290.45 g/mol, XLogP of 5.68, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-1-phenyldecyl) formate is sourced from PubChem (CID 174631629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).