(6-tert-butylnaphthalen-2-yl) 4-tert-butylcyclohexane-1-carboxylate

C25H34O2 — CID 58671942

IUPAC(6-tert-butylnaphthalen-2-yl) 4-tert-butylcyclohexane-1-carboxylate
SMILESCC(C)(C)c1ccc2cc(OC(=O)C3CCC(C(C)(C)C)CC3)ccc2c1
InChIInChI=1S/C25H34O2/c1-24(2,3)20-11-7-17(8-12-20)23(26)27-22-14-10-18-15-21(25(4,5)6)13-9-19(18)16-22/h9-10,13-17,20H,7-8,11-12H2,1-6H3
InChIKeyJZSKXBHVZFQIFO-UHFFFAOYSA-N
MW366.55 g/mol
LogP6.90
Rot. Bonds2

About (6-tert-butylnaphthalen-2-yl) 4-tert-butylcyclohexane-1-carboxylate

(6-tert-butylnaphthalen-2-yl) 4-tert-butylcyclohexane-1-carboxylate (PubChem CID 58671942) has the molecular formula C25H34O2 and a molecular weight of 366.55 g/mol. Its IUPAC name is (6-tert-butylnaphthalen-2-yl) 4-tert-butylcyclohexane-1-carboxylate.

Molecular Properties

Compound Name(6-tert-butylnaphthalen-2-yl) 4-tert-butylcyclohexane-1-carboxylate
PubChem CID58671942
Molecular FormulaC25H34O2
Molecular Weight366.55 g/mol
Exact Mass366.26
IUPAC Name(6-tert-butylnaphthalen-2-yl) 4-tert-butylcyclohexane-1-carboxylate
SMILESCC(C)(C)c1ccc2cc(OC(=O)C3CCC(C(C)(C)C)CC3)ccc2c1
InChIInChI=1S/C25H34O2/c1-24(2,3)20-11-7-17(8-12-20)23(26)27-22-14-10-18-15-21(25(4,5)6)13-9-19(18)16-22/h9-10,13-17,20H,7-8,11-12H2,1-6H3
InChIKeyJZSKXBHVZFQIFO-UHFFFAOYSA-N
XLogP6.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.55
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[7-(cyclopropanecarbonyloxy)naphthalen-2-yl] cyclopropanecarboxylate
CID 21495442
[6-(4-methylcyclohexanecarbonyl)oxynaphthalen-2-yl] 4-methylcyclohexane-1-carboxylate
CID 126692821
naphthalen-2-yl cyclopropanecarboxylate
CID 532295
(4-tert-butylcyclohexanecarbonyl) 4-tert-butylcyclohexane-1-carboperoxoate
CID 101452695
(7-methoxynaphthalen-2-yl) cyclohexanecarboxylate
CID 60592496
N'-(4-tert-butylcyclohexanecarbonyl)-4-methoxybenzohydrazide
CID 2090870
4-O-[4-[4-[4-(4-methoxycarbonylcyclohexanecarbonyl)oxyphenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-methyl cyclohexane-1,4-dicarboxylate
CID 168764542
2-(4-tert-butylcyclohexyl)oxy-6-(2,3-dimethylbutan-2-yl)naphthalene
CID 123570731
1-cyclopropyl-1-(6-methoxynaphthalen-2-yl)ethanol
CID 91658263
3-[2-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]propan-2-ylamino]propanoic acid
CID 70496663
ethane;[4-(4-methylcyclohexanecarbonyl)oxyphenyl] 4-methylcyclohexane-1-carboxylate
CID 90858255
(6,7-difluoronaphthalen-2-yl) 4-heptylcyclohexane-1-carboxylate
CID 139853971

Frequently Asked Questions

What is the IUPAC name of (6-tert-butylnaphthalen-2-yl) 4-tert-butylcyclohexane-1-carboxylate?
The IUPAC name of (6-tert-butylnaphthalen-2-yl) 4-tert-butylcyclohexane-1-carboxylate (CID 58671942) is (6-tert-butylnaphthalen-2-yl) 4-tert-butylcyclohexane-1-carboxylate.
What is the SMILES notation for (6-tert-butylnaphthalen-2-yl) 4-tert-butylcyclohexane-1-carboxylate?
The canonical SMILES for (6-tert-butylnaphthalen-2-yl) 4-tert-butylcyclohexane-1-carboxylate is CC(C)(C)c1ccc2cc(OC(=O)C3CCC(C(C)(C)C)CC3)ccc2c1.
What is the InChIKey of (6-tert-butylnaphthalen-2-yl) 4-tert-butylcyclohexane-1-carboxylate?
The InChIKey is JZSKXBHVZFQIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34O2/c1-24(2,3)20-11-7-17(8-12-20)23(26)27-22-14-10-18-15-21(25(4,5)6)13-9-19(18)16-22/h9-10,13-17,20H,7-8,11-12H2,1-6H3.
What are the key properties of (6-tert-butylnaphthalen-2-yl) 4-tert-butylcyclohexane-1-carboxylate?
(6-tert-butylnaphthalen-2-yl) 4-tert-butylcyclohexane-1-carboxylate has a molecular weight of 366.55 g/mol, XLogP of 6.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-tert-butylnaphthalen-2-yl) 4-tert-butylcyclohexane-1-carboxylate is sourced from PubChem (CID 58671942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).