7-phenylnonyl hydrogen carbonate

C16H24O3 — CID 67180430

IUPAC7-phenylnonyl hydrogen carbonate
SMILESCCC(CCCCCCOC(=O)O)c1ccccc1
InChIInChI=1S/C16H24O3/c1-2-14(15-11-7-5-8-12-15)10-6-3-4-9-13-19-16(17)18/h5,7-8,11-12,14H,2-4,6,9-10,13H2,1H3,(H,17,18)
InChIKeyAOXBODRMGKSJEE-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.83
Rot. Bonds9

About 7-phenylnonyl hydrogen carbonate

7-phenylnonyl hydrogen carbonate (PubChem CID 67180430) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is 7-phenylnonyl hydrogen carbonate.

Molecular Properties

Compound Name7-phenylnonyl hydrogen carbonate
PubChem CID67180430
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name7-phenylnonyl hydrogen carbonate
SMILESCCC(CCCCCCOC(=O)O)c1ccccc1
InChIInChI=1S/C16H24O3/c1-2-14(15-11-7-5-8-12-15)10-6-3-4-9-13-19-16(17)18/h5,7-8,11-12,14H,2-4,6,9-10,13H2,1H3,(H,17,18)
InChIKeyAOXBODRMGKSJEE-UHFFFAOYSA-N
XLogP4.83
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-phenyldodecyl hydrogen carbonate
CID 67181032
10-phenyldodecyl dihydrogen phosphite
CID 154182802
butyl 5-phenylheptanoate
CID 175289062
2-phenylheptyl hydrogen carbonate
CID 67179630
7-(2-methoxyethoxy)heptan-3-ylbenzene
CID 59850685
barium(2+);bis(16-phenyloctadecanoate)
CID 101320100
bis(3-phenyldecyl) carbonate
CID 67180027
octan-3-ylbenzene
CID 519547
(1-ethyl-9-phenyldecyl)benzene
CID 154659486
[9-(2,3-diethylphenyl)-9-phenylnonyl] hydrogen carbonate
CID 67181073
[8-(2-pentylphenyl)-8-phenyloctyl] hydrogen carbonate
CID 67179642
dodecyl 2-phenyl-2-sulfanylacetate
CID 22981929

Frequently Asked Questions

What is the IUPAC name of 7-phenylnonyl hydrogen carbonate?
The IUPAC name of 7-phenylnonyl hydrogen carbonate (CID 67180430) is 7-phenylnonyl hydrogen carbonate.
What is the SMILES notation for 7-phenylnonyl hydrogen carbonate?
The canonical SMILES for 7-phenylnonyl hydrogen carbonate is CCC(CCCCCCOC(=O)O)c1ccccc1.
What is the InChIKey of 7-phenylnonyl hydrogen carbonate?
The InChIKey is AOXBODRMGKSJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-2-14(15-11-7-5-8-12-15)10-6-3-4-9-13-19-16(17)18/h5,7-8,11-12,14H,2-4,6,9-10,13H2,1H3,(H,17,18).
What are the key properties of 7-phenylnonyl hydrogen carbonate?
7-phenylnonyl hydrogen carbonate has a molecular weight of 264.37 g/mol, XLogP of 4.83, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenylnonyl hydrogen carbonate is sourced from PubChem (CID 67180430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).