(4-acetyloxy-6-pentyl-5,6,7,8-tetrahydronaphthalen-1-yl) acetate

C19H26O4 — CID 10087260

IUPAC(4-acetyloxy-6-pentyl-5,6,7,8-tetrahydronaphthalen-1-yl) acetate
SMILESCCCCCC1CCc2c(OC(C)=O)ccc(OC(C)=O)c2C1
InChIInChI=1S/C19H26O4/c1-4-5-6-7-15-8-9-16-17(12-15)19(23-14(3)21)11-10-18(16)22-13(2)20/h10-11,15H,4-9,12H2,1-3H3
InChIKeyLFLODBXCBLPUAA-UHFFFAOYSA-N
MW318.41 g/mol
LogP4.22
Rot. Bonds6

About (4-acetyloxy-6-pentyl-5,6,7,8-tetrahydronaphthalen-1-yl) acetate

(4-acetyloxy-6-pentyl-5,6,7,8-tetrahydronaphthalen-1-yl) acetate (PubChem CID 10087260) has the molecular formula C19H26O4 and a molecular weight of 318.41 g/mol. Its IUPAC name is (4-acetyloxy-6-pentyl-5,6,7,8-tetrahydronaphthalen-1-yl) acetate.

Molecular Properties

Compound Name(4-acetyloxy-6-pentyl-5,6,7,8-tetrahydronaphthalen-1-yl) acetate
PubChem CID10087260
Molecular FormulaC19H26O4
Molecular Weight318.41 g/mol
Exact Mass318.18
IUPAC Name(4-acetyloxy-6-pentyl-5,6,7,8-tetrahydronaphthalen-1-yl) acetate
SMILESCCCCCC1CCc2c(OC(C)=O)ccc(OC(C)=O)c2C1
InChIInChI=1S/C19H26O4/c1-4-5-6-7-15-8-9-16-17(12-15)19(23-14(3)21)11-10-18(16)22-13(2)20/h10-11,15H,4-9,12H2,1-3H3
InChIKeyLFLODBXCBLPUAA-UHFFFAOYSA-N
XLogP4.22
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[(7S)-7-undecyl-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
CID 144530116
9,10-dimethoxy-2-pentyl-1,2,3,4-tetrahydroanthracene
CID 153323217
9,10-dioctoxy-2-pentyl-1,2,3,4-tetrahydroanthracene
CID 153323148
methyl 6-heptyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 58719130
6-decyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
CID 139896307
3-pentylcyclopentan-1-one
CID 11040911
(4-acetyloxyphenyl) 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate
CID 23334878
[4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]phenyl] acetate
CID 54119401
hexadecan-2-one;3-undecylcyclopentan-1-one
CID 69382270
(4-cyanophenyl) (2S,7S)-7-hexyl-1,2,3,4,5,6,7,8-octahydrophenanthrene-2-carboxylate
CID 141032924
(4-acetyloxyphenyl) 4-(4-heptylcyclohexyl)cyclohexane-1-carboxylate
CID 23334567
[4-[4-(4-octylcyclohexyl)phenyl]phenyl] acetate
CID 20539279

Frequently Asked Questions

What is the IUPAC name of (4-acetyloxy-6-pentyl-5,6,7,8-tetrahydronaphthalen-1-yl) acetate?
The IUPAC name of (4-acetyloxy-6-pentyl-5,6,7,8-tetrahydronaphthalen-1-yl) acetate (CID 10087260) is (4-acetyloxy-6-pentyl-5,6,7,8-tetrahydronaphthalen-1-yl) acetate.
What is the SMILES notation for (4-acetyloxy-6-pentyl-5,6,7,8-tetrahydronaphthalen-1-yl) acetate?
The canonical SMILES for (4-acetyloxy-6-pentyl-5,6,7,8-tetrahydronaphthalen-1-yl) acetate is CCCCCC1CCc2c(OC(C)=O)ccc(OC(C)=O)c2C1.
What is the InChIKey of (4-acetyloxy-6-pentyl-5,6,7,8-tetrahydronaphthalen-1-yl) acetate?
The InChIKey is LFLODBXCBLPUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O4/c1-4-5-6-7-15-8-9-16-17(12-15)19(23-14(3)21)11-10-18(16)22-13(2)20/h10-11,15H,4-9,12H2,1-3H3.
What are the key properties of (4-acetyloxy-6-pentyl-5,6,7,8-tetrahydronaphthalen-1-yl) acetate?
(4-acetyloxy-6-pentyl-5,6,7,8-tetrahydronaphthalen-1-yl) acetate has a molecular weight of 318.41 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetyloxy-6-pentyl-5,6,7,8-tetrahydronaphthalen-1-yl) acetate is sourced from PubChem (CID 10087260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).