(2-cyclohexylphenyl) pentyl carbonate

C18H26O3 — CID 154072254

IUPAC(2-cyclohexylphenyl) pentyl carbonate
SMILESCCCCCOC(=O)Oc1ccccc1C1CCCCC1
InChIInChI=1S/C18H26O3/c1-2-3-9-14-20-18(19)21-17-13-8-7-12-16(17)15-10-5-4-6-11-15/h7-8,12-13,15H,2-6,9-11,14H2,1H3
InChIKeyTUGGJLFMDQCAAB-UHFFFAOYSA-N
MW290.40 g/mol
LogP5.44
Rot. Bonds6

About (2-cyclohexylphenyl) pentyl carbonate

(2-cyclohexylphenyl) pentyl carbonate (PubChem CID 154072254) has the molecular formula C18H26O3 and a molecular weight of 290.40 g/mol. Its IUPAC name is (2-cyclohexylphenyl) pentyl carbonate.

Molecular Properties

Compound Name(2-cyclohexylphenyl) pentyl carbonate
PubChem CID154072254
Molecular FormulaC18H26O3
Molecular Weight290.40 g/mol
Exact Mass290.19
IUPAC Name(2-cyclohexylphenyl) pentyl carbonate
SMILESCCCCCOC(=O)Oc1ccccc1C1CCCCC1
InChIInChI=1S/C18H26O3/c1-2-3-9-14-20-18(19)21-17-13-8-7-12-16(17)15-10-5-4-6-11-15/h7-8,12-13,15H,2-6,9-11,14H2,1H3
InChIKeyTUGGJLFMDQCAAB-UHFFFAOYSA-N
XLogP5.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.40
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-aminophenyl) pentyl carbonate
CID 139745164
hexyl (2-phenylphenyl) carbonate
CID 67180373
bis(2-cyclohexylphenyl) nonanedioate
CID 144725019
naphthalen-1-yl pentyl carbonate
CID 175011067
[2-[(2-octoxycarbonyloxyphenyl)methyl]phenyl] octyl carbonate
CID 150788215
octyl (2-pentylphenyl) carbonate
CID 67181173
(2-butylphenyl) hexyl carbonate
CID 67178148
hexyl (2-propylphenyl) carbonate
CID 67179757
(2-cyclobutylphenyl) acetate
CID 176943294
octyl [2-(trifluoromethyl)phenyl] carbonate
CID 154202419
hexyl (2-phenylphenyl) carbonate;plutonium;dicarbonate
CID 174935978
butyl (2-decylphenyl) carbonate
CID 67182932

Frequently Asked Questions

What is the IUPAC name of (2-cyclohexylphenyl) pentyl carbonate?
The IUPAC name of (2-cyclohexylphenyl) pentyl carbonate (CID 154072254) is (2-cyclohexylphenyl) pentyl carbonate.
What is the SMILES notation for (2-cyclohexylphenyl) pentyl carbonate?
The canonical SMILES for (2-cyclohexylphenyl) pentyl carbonate is CCCCCOC(=O)Oc1ccccc1C1CCCCC1.
What is the InChIKey of (2-cyclohexylphenyl) pentyl carbonate?
The InChIKey is TUGGJLFMDQCAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O3/c1-2-3-9-14-20-18(19)21-17-13-8-7-12-16(17)15-10-5-4-6-11-15/h7-8,12-13,15H,2-6,9-11,14H2,1H3.
What are the key properties of (2-cyclohexylphenyl) pentyl carbonate?
(2-cyclohexylphenyl) pentyl carbonate has a molecular weight of 290.40 g/mol, XLogP of 5.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexylphenyl) pentyl carbonate is sourced from PubChem (CID 154072254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).